1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one

C14H18ClNO — CID 50747298

IUPAC1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO/c1-10(2)14(17)16-9-3-4-13(16)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyZHVPKOGNLBNLGX-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.66
Rot. Bonds2

About 1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one

1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 50747298) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID50747298
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO/c1-10(2)14(17)16-9-3-4-13(16)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyZHVPKOGNLBNLGX-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-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

1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 51694827
(2S)-2-amino-1-[2-(4-chlorophenyl)azepan-1-yl]propan-1-one
CID 119328712
3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119721633
2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288410
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119721619
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
1-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 125145404
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612893
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612892
1-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 84515128
1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone
CID 126758652

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 50747298) is 1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCCC1c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is ZHVPKOGNLBNLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-10(2)14(17)16-9-3-4-13(16)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 251.76 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 50747298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).