3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one

C13H16ClNO — CID 82292099

IUPAC3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
SMILESO=C(CCc1ccccc1Cl)C1CCCN1
InChIInChI=1S/C13H16ClNO/c14-11-5-2-1-4-10(11)7-8-13(16)12-6-3-9-15-12/h1-2,4-5,12,15H,3,6-9H2
InChIKeyCGEZSJMAFXAGJD-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.59
Rot. Bonds4

About 3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one

3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one (PubChem CID 82292099) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
PubChem CID82292099
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
SMILESO=C(CCc1ccccc1Cl)C1CCCN1
InChIInChI=1S/C13H16ClNO/c14-11-5-2-1-4-10(11)7-8-13(16)12-6-3-9-15-12/h1-2,4-5,12,15H,3,6-9H2
InChIKeyCGEZSJMAFXAGJD-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone
CID 107311274
3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one
CID 82289362
3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
CID 82292100
N-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119267602
1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560934
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119879602
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
[4-(2-chlorophenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 18545111
[2-(2-chlorophenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61164921
1-pyrrolidin-2-ylbutan-1-one
CID 54066710
1-(azepan-2-yl)-2-(2,4-dichlorophenyl)ethanone
CID 116582482

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one?
The IUPAC name of 3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one (CID 82292099) is 3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one is O=C(CCc1ccccc1Cl)C1CCCN1.
What is the InChIKey of 3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one?
The InChIKey is CGEZSJMAFXAGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-11-5-2-1-4-10(11)7-8-13(16)12-6-3-9-15-12/h1-2,4-5,12,15H,3,6-9H2.
What are the key properties of 3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one?
3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one has a molecular weight of 237.73 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one is sourced from PubChem (CID 82292099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).