3-(4-chlorophenyl)-5,5-dimethylpyrrolidin-2-one

C12H14ClNO — CID 66617940

IUPAC3-(4-chlorophenyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC1(C)CC(c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C12H14ClNO/c1-12(2)7-10(11(15)14-12)8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3,(H,14,15)
InChIKeyBBNHKXDPBQIXRV-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.72
Rot. Bonds1

About 3-(4-chlorophenyl)-5,5-dimethylpyrrolidin-2-one

3-(4-chlorophenyl)-5,5-dimethylpyrrolidin-2-one (PubChem CID 66617940) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5,5-dimethylpyrrolidin-2-one
PubChem CID66617940
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name3-(4-chlorophenyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC1(C)CC(c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C12H14ClNO/c1-12(2)7-10(11(15)14-12)8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3,(H,14,15)
InChIKeyBBNHKXDPBQIXRV-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-5,5-dimethylpyrrolidin-2-one (CID 66617940) is 3-(4-chlorophenyl)-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-5,5-dimethylpyrrolidin-2-one is CC1(C)CC(c2ccc(Cl)cc2)C(=O)N1.
What is the InChIKey of 3-(4-chlorophenyl)-5,5-dimethylpyrrolidin-2-one?
The InChIKey is BBNHKXDPBQIXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-12(2)7-10(11(15)14-12)8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3,(H,14,15).
What are the key properties of 3-(4-chlorophenyl)-5,5-dimethylpyrrolidin-2-one?
3-(4-chlorophenyl)-5,5-dimethylpyrrolidin-2-one has a molecular weight of 223.70 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 66617940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).