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Also known as: 26171-04-0, (2z)-1-ethyl-2-(nitromethylidene)pyrrolidine, Schembl11665470, 1-ethyl-2-nitromethylenepyrrolidine, (e)-1-ethyl-2-(nitromethylene)pyrrolidine
Molecular Formula
C7H12N2O2
Molecular Weight
156.18  g/mol
InChI Key
MSXAUUYIGJZVTR-UHFFFAOYSA-N

CAS 26171-04-0
1 2D Structure

CAS 26171-04-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-ethyl-2-(nitromethylidene)pyrrolidine
2.1.2 InChI
InChI=1S/C7H12N2O2/c1-2-8-5-3-4-7(8)6-9(10)11/h6H,2-5H2,1H3
2.1.3 InChI Key
MSXAUUYIGJZVTR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCN1CCCC1=C[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 26171-04-0

2. (2z)-1-ethyl-2-(nitromethylidene)pyrrolidine

3. Schembl11665470

4. 1-ethyl-2-nitromethylenepyrrolidine

5. (e)-1-ethyl-2-(nitromethylene)pyrrolidine

2.3 Create Date
2005-07-08
3 Chemical and Physical Properties
Molecular Weight 156.18 g/mol
Molecular Formula C7H12N2O2
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area49.1
Heavy Atom Count11
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently Bonded Unit Count1

BUILDING BLOCK

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