1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one

C10H15NO — CID 102330307

IUPAC1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one
SMILESC=C[C@@H]1CCCN1C(=O)C(=C)C
InChIInChI=1S/C10H15NO/c1-4-9-6-5-7-11(9)10(12)8(2)3/h4,9H,1-2,5-7H2,3H3/t9-/m1/s1
InChIKeyOKIIBRWIYGLPOL-SECBINFHSA-N
MW165.24 g/mol
LogP1.74
Rot. Bonds2

About 1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one

1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one (PubChem CID 102330307) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one
PubChem CID102330307
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one
SMILESC=C[C@@H]1CCCN1C(=O)C(=C)C
InChIInChI=1S/C10H15NO/c1-4-9-6-5-7-11(9)10(12)8(2)3/h4,9H,1-2,5-7H2,3H3/t9-/m1/s1
InChIKeyOKIIBRWIYGLPOL-SECBINFHSA-N
XLogP1.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[(2S)-2-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 89291831
1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one
CID 45113887
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 14282319
1-[(2S)-2-ethenylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 134571035
1-(2-ethenylpiperidin-1-yl)ethenol
CID 10630712
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 82503098
1-(2-ethenylazocan-1-yl)propan-1-one
CID 132518905
methyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 123841575
(2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide
CID 14282316
2-ethenyl-1-[1-[2-[(2E)-5-methylhexa-2,4-dien-2-yl]phenyl]ethenyl]pyrrolidine
CID 143367393
2-(2-ethenylpyrrolidin-1-yl)acetic acid
CID 67674478
[(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone
CID 129349370

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one?
The IUPAC name of 1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one (CID 102330307) is 1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one?
The canonical SMILES for 1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one is C=C[C@@H]1CCCN1C(=O)C(=C)C.
What is the InChIKey of 1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one?
The InChIKey is OKIIBRWIYGLPOL-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-9-6-5-7-11(9)10(12)8(2)3/h4,9H,1-2,5-7H2,3H3/t9-/m1/s1.
What are the key properties of 1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one?
1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one has a molecular weight of 165.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one is sourced from PubChem (CID 102330307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).