2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone

C15H18ClNO — CID 110871785

IUPAC2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCCC1C1CC1
InChIInChI=1S/C15H18ClNO/c16-13-7-3-11(4-8-13)10-15(18)17-9-1-2-14(17)12-5-6-12/h3-4,7-8,12,14H,1-2,5-6,9-10H2
InChIKeySGULLKOBTBEPDH-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.28
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone

2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone (PubChem CID 110871785) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone
PubChem CID110871785
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCCC1C1CC1
InChIInChI=1S/C15H18ClNO/c16-13-7-3-11(4-8-13)10-15(18)17-9-1-2-14(17)12-5-6-12/h3-4,7-8,12,14H,1-2,5-6,9-10H2
InChIKeySGULLKOBTBEPDH-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone 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-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110871905
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-nitrophenyl)ethanone
CID 73071668
2-(4-chlorophenyl)-1-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94248357
2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94248358
1-[2-(chloromethyl)azepan-1-yl]-2-(4-chlorophenyl)ethanone
CID 116639127
2-(4-chlorophenyl)-1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]ethanone
CID 86952955
2-(4-chlorophenyl)-1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 94457878
1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 94041150
2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone
CID 110871568
3-amino-N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578635
1-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 94080642
1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one
CID 136523441

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone (CID 110871785) is 2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone is O=C(Cc1ccc(Cl)cc1)N1CCCC1C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone?
The InChIKey is SGULLKOBTBEPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c16-13-7-3-11(4-8-13)10-15(18)17-9-1-2-14(17)12-5-6-12/h3-4,7-8,12,14H,1-2,5-6,9-10H2.
What are the key properties of 2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone?
2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone has a molecular weight of 263.77 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 110871785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).