1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one

C13H14ClNO — CID 22163961

IUPAC1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one
SMILESC=CC1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C13H14ClNO/c1-2-11-7-8-13(16)15(11)9-10-5-3-4-6-12(10)14/h2-6,11H,1,7-9H2
InChIKeyHDMQKMSZJJTAHK-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.02
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one

1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one (PubChem CID 22163961) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one
PubChem CID22163961
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one
SMILESC=CC1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C13H14ClNO/c1-2-11-7-8-13(16)15(11)9-10-5-3-4-6-12(10)14/h2-6,11H,1,7-9H2
InChIKeyHDMQKMSZJJTAHK-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5S)-1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one
CID 56976994
(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 40516924
(5S)-1-[(4-bromophenyl)methyl]-5-ethenylpyrrolidin-2-one
CID 57274916
1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 4062433
(5S)-1-[(2-chlorophenyl)methyl]-5-[2-[di(propan-2-yl)amino]-1-hydroxyethyl]pyrrolidin-2-one
CID 139774854
(5S)-5-ethenyl-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 57242076
1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 139023933
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
(2S)-1-[(2-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 1477432
1-[[2-(chloromethyl)phenyl]methyl]-5-methylpyrrolidin-2-one
CID 19385519
1-[(2-chlorophenyl)methyl]-5-[2-[(3-methylphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45176405
(2S)-1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 92696544

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one (CID 22163961) is 1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one is C=CC1CCC(=O)N1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one?
The InChIKey is HDMQKMSZJJTAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-2-11-7-8-13(16)15(11)9-10-5-3-4-6-12(10)14/h2-6,11H,1,7-9H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one?
1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one has a molecular weight of 235.71 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one is sourced from PubChem (CID 22163961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).