5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one

C12H14ClNO — CID 104687299

IUPAC5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCC1(Cc2cccc(Cl)c2)CCC(=O)N1
InChIInChI=1S/C12H14ClNO/c1-12(6-5-11(15)14-12)8-9-3-2-4-10(13)7-9/h2-4,7H,5-6,8H2,1H3,(H,14,15)
InChIKeyCAOCMSMXUPJEHH-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.55
Rot. Bonds2

About 5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one

5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one (PubChem CID 104687299) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one
PubChem CID104687299
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCC1(Cc2cccc(Cl)c2)CCC(=O)N1
InChIInChI=1S/C12H14ClNO/c1-12(6-5-11(15)14-12)8-9-3-2-4-10(13)7-9/h2-4,7H,5-6,8H2,1H3,(H,14,15)
InChIKeyCAOCMSMXUPJEHH-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(3-chloro-5-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 114455223
2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride
CID 122156828
5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 104687321
5-[[4-(difluoromethyl)phenyl]methyl]-5-methylpyrrolidin-2-one
CID 113441337
5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one
CID 104687361
5-[(3,5-dichlorophenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
CID 104687817
3-[(3-chlorophenyl)methyl]-2,2-bis(methoxymethoxy)-3-methylcyclopentan-1-one
CID 67254603
N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 26335072
5-[(3-chlorophenyl)methyl]-3-azabicyclo[3.1.1]heptan-2-one
CID 84797845
[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65391761
1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466
1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 65392356

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one (CID 104687299) is 5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one is CC1(Cc2cccc(Cl)c2)CCC(=O)N1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one?
The InChIKey is CAOCMSMXUPJEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-12(6-5-11(15)14-12)8-9-3-2-4-10(13)7-9/h2-4,7H,5-6,8H2,1H3,(H,14,15).
What are the key properties of 5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one?
5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one has a molecular weight of 223.70 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 104687299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).