3-ethenylidenepyrrolidin-2-one

C6H7NO — CID 19829648

IUPAC3-ethenylidenepyrrolidin-2-one
SMILESC=C=C1CCNC1=O
InChIInChI=1S/C6H7NO/c1-2-5-3-4-7-6(5)8/h1,3-4H2,(H,7,8)
InChIKeyHFCOSKMSINCEHC-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.22
Rot. Bonds

About 3-ethenylidenepyrrolidin-2-one

3-ethenylidenepyrrolidin-2-one (PubChem CID 19829648) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 3-ethenylidenepyrrolidin-2-one.

Molecular Properties

Compound Name3-ethenylidenepyrrolidin-2-one
PubChem CID19829648
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name3-ethenylidenepyrrolidin-2-one
SMILESC=C=C1CCNC1=O
InChIInChI=1S/C6H7NO/c1-2-5-3-4-7-6(5)8/h1,3-4H2,(H,7,8)
InChIKeyHFCOSKMSINCEHC-UHFFFAOYSA-N
XLogP0.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Methylidenepyrrolidin-2-one
CID 10909493
4-Methylenepyrrolidin-2-one
CID 68306046
alpha-Chloromethylene-gamma-butyrolactam
CID 129845081
3,3-Difluoro-4-methylidenepyrrolidin-2-one
CID 168014066
3-Propan-2-ylidenepyrrolidin-2-one
CID 10749180
1-Methanidyl-3-methylidenepyrrolidin-1-ium-2-one
CID 59127386
4-Methyl-3-methylidenepyrrolidin-2-one
CID 69168911
Carbonyl-2-pyrrolidinone
CID 88159433
(3Z)-3-(iodomethylidene)pyrrolidin-2-one
CID 130306799
(3Z)-3-(aminomethylidene)pyrrolidin-2-one
CID 133679194
3,4-Dimethylidenepyrrolidin-2-one
CID 143338189
Ethane;3-methylidenepyrrolidin-2-one
CID 143832515

Frequently Asked Questions

What is the IUPAC name of 3-ethenylidenepyrrolidin-2-one?
The IUPAC name of 3-ethenylidenepyrrolidin-2-one (CID 19829648) is 3-ethenylidenepyrrolidin-2-one.
What is the SMILES notation for 3-ethenylidenepyrrolidin-2-one?
The canonical SMILES for 3-ethenylidenepyrrolidin-2-one is C=C=C1CCNC1=O.
What is the InChIKey of 3-ethenylidenepyrrolidin-2-one?
The InChIKey is HFCOSKMSINCEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-2-5-3-4-7-6(5)8/h1,3-4H2,(H,7,8).
What are the key properties of 3-ethenylidenepyrrolidin-2-one?
3-ethenylidenepyrrolidin-2-one has a molecular weight of 109.13 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylidenepyrrolidin-2-one is sourced from PubChem (CID 19829648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).