3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one

C14H18ClNO — CID 145472611

IUPAC3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cc(CCC(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C14H18ClNO/c1-11-10-12(4-6-13(11)15)5-7-14(17)16-8-2-3-9-16/h4,6,10H,2-3,5,7-9H2,1H3
InChIKeySHVYNVCPGNXPNR-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.20
Rot. Bonds3

About 3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one

3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 145472611) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID145472611
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cc(CCC(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C14H18ClNO/c1-11-10-12(4-6-13(11)15)5-7-14(17)16-8-2-3-9-16/h4,6,10H,2-3,5,7-9H2,1H3
InChIKeySHVYNVCPGNXPNR-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
CID 145472486
2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone
CID 82511840
3-(4-chloro-3-methylphenyl)-1-[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one
CID 129356427
3-(4-chloro-3-methylphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]propan-1-one
CID 90589673
3-(4-chloro-3-methylphenyl)-1-[3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 121178598
3-[1-[3-(4-chloro-3-methylphenyl)propanoyl]azetidin-3-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 121187849
4-[3-(3-chloro-4-methylphenyl)propanoyl]-1,4-diazepan-2-one
CID 62897024
3-(4-chloro-3-methylphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]propan-1-one
CID 90593024
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82133342
1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 84613853
(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide
CID 95154870
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one (CID 145472611) is 3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one is Cc1cc(CCC(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is SHVYNVCPGNXPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-11-10-12(4-6-13(11)15)5-7-14(17)16-8-2-3-9-16/h4,6,10H,2-3,5,7-9H2,1H3.
What are the key properties of 3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one?
3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 251.76 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 145472611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).