3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one

C11H11Cl2NO — CID 10966750

IUPAC3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one
SMILESCC1CN(c2ccccc2)C(=O)C1(Cl)Cl
InChIInChI=1S/C11H11Cl2NO/c1-8-7-14(10(15)11(8,12)13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyOOYXZQMUWQFFDI-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.84
Rot. Bonds1

About 3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one

3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one (PubChem CID 10966750) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is 3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one
PubChem CID10966750
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one
SMILESCC1CN(c2ccccc2)C(=O)C1(Cl)Cl
InChIInChI=1S/C11H11Cl2NO/c1-8-7-14(10(15)11(8,12)13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyOOYXZQMUWQFFDI-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-chloro-4-methyl-1-phenylpyrrolidin-2-one
CID 14417049
tert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 73013458
(4S)-1,4-diphenylimidazolidin-2-one
CID 163207794
(5S)-5-(1-benzylazetidin-3-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one
CID 129053774
(3S)-4,4-dimethyl-3-(methylamino)-1-phenylpyrrolidin-2-one
CID 101461396
3,3,4-trimethyl-1-phenylpiperazin-2-one
CID 146646234
3,5-diphenyl-1,3-oxazolidin-2-one
CID 568810
3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84771045
(3aS,5aS,9aS)-2-phenyl-3a,4,5,5a,6,7-hexahydro-3H-indeno[1,7a-c]pyrrol-1-one
CID 23629147
1-methyl-3-phenyl-1,3-diazinane-2,5-dione
CID 22323527
N'-hydroxy-5-oxo-1-phenylpyrrolidine-3-carboximidamide
CID 138111840
4-methyl-1-phenylpyrazolidin-3-one
CID 158996523

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one?
The IUPAC name of 3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one (CID 10966750) is 3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one is CC1CN(c2ccccc2)C(=O)C1(Cl)Cl.
What is the InChIKey of 3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one?
The InChIKey is OOYXZQMUWQFFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c1-8-7-14(10(15)11(8,12)13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one?
3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one has a molecular weight of 244.12 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 10966750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).