5-(214C)ethenylpyrrolidin-2-one

C6H9NO — CID 10374431

IUPAC5-(214C)ethenylpyrrolidin-2-one
SMILES[14CH2]=CC1CCC(=O)N1
InChIInChI=1S/C6H9NO/c1-2-5-3-4-6(8)7-5/h2,5H,1,3-4H2,(H,7,8)/i1+2
InChIKeyOYVDXEVJHXWJAE-NJFSPNSNSA-N
MW113.14 g/mol
LogP0.45
Rot. Bonds1

About 5-(214C)ethenylpyrrolidin-2-one

5-(214C)ethenylpyrrolidin-2-one (PubChem CID 10374431) has the molecular formula C6H9NO and a molecular weight of 113.14 g/mol. Its IUPAC name is 5-(214C)ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(214C)ethenylpyrrolidin-2-one
PubChem CID10374431
Molecular FormulaC6H9NO
Molecular Weight113.14 g/mol
Exact Mass113.07
IUPAC Name5-(214C)ethenylpyrrolidin-2-one
SMILES[14CH2]=CC1CCC(=O)N1
InChIInChI=1S/C6H9NO/c1-2-5-3-4-6(8)7-5/h2,5H,1,3-4H2,(H,7,8)/i1+2
InChIKeyOYVDXEVJHXWJAE-NJFSPNSNSA-N
XLogP0.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.14
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one
CID 142013382
(5S)-5-propa-1,2-dienylpyrrolidin-2-one
CID 45092447
5-but-3-en-2-ylpyrrolidin-2-one
CID 174843717
(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
CID 7061092
5-(1-hydroxyethyl)pyrrolidin-2-one
CID 15129755
2-(5-oxopyrrolidin-2-yl)propanedioic acid
CID 130664567
5-aminopyrrolidin-2-one
CID 12638466
(5S)-5-methylpyrrolidin-2-one
CID 7458701
(5R)-5-butan-2-ylpyrrolidin-2-one
CID 167119866
6-propa-1,2-dienylpiperidin-2-one
CID 13286849
(5R)-5-aminopyrrolidin-2-one;hydrochloride
CID 67838431
5-aminopyrrolidin-2-one;hydrochloride
CID 67838433

Frequently Asked Questions

What is the IUPAC name of 5-(214C)ethenylpyrrolidin-2-one?
The IUPAC name of 5-(214C)ethenylpyrrolidin-2-one (CID 10374431) is 5-(214C)ethenylpyrrolidin-2-one.
What is the SMILES notation for 5-(214C)ethenylpyrrolidin-2-one?
The canonical SMILES for 5-(214C)ethenylpyrrolidin-2-one is [14CH2]=CC1CCC(=O)N1.
What is the InChIKey of 5-(214C)ethenylpyrrolidin-2-one?
The InChIKey is OYVDXEVJHXWJAE-NJFSPNSNSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-5-3-4-6(8)7-5/h2,5H,1,3-4H2,(H,7,8)/i1+2.
What are the key properties of 5-(214C)ethenylpyrrolidin-2-one?
5-(214C)ethenylpyrrolidin-2-one has a molecular weight of 113.14 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(214C)ethenylpyrrolidin-2-one is sourced from PubChem (CID 10374431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).