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

C13H16ClNO — CID 82292100

IUPAC3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
SMILESO=C(CCc1cccc(Cl)c1)C1CCCN1
InChIInChI=1S/C13H16ClNO/c14-11-4-1-3-10(9-11)6-7-13(16)12-5-2-8-15-12/h1,3-4,9,12,15H,2,5-8H2
InChIKeyRZIGMNFBWXIENN-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.59
Rot. Bonds4

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

3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one (PubChem CID 82292100) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
PubChem CID82292100
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
SMILESO=C(CCc1cccc(Cl)c1)C1CCCN1
InChIInChI=1S/C13H16ClNO/c14-11-4-1-3-10(9-11)6-7-13(16)12-5-2-8-15-12/h1,3-4,9,12,15H,2,5-8H2
InChIKeyRZIGMNFBWXIENN-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

N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 61276083
3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
CID 82292099
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
3-(2,3-dimethylphenyl)-1-pyrrolidin-2-ylpropan-1-one
CID 82289362
(3-chlorophenyl)methyl 2-pyrrolidin-2-ylacetate
CID 65127484
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone
CID 107311274
N-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide
CID 40605320
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423733
3-(3-chlorophenyl)propanoate
CID 6946708

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one?
The IUPAC name of 3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one (CID 82292100) is 3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one is O=C(CCc1cccc(Cl)c1)C1CCCN1.
What is the InChIKey of 3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one?
The InChIKey is RZIGMNFBWXIENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-11-4-1-3-10(9-11)6-7-13(16)12-5-2-8-15-12/h1,3-4,9,12,15H,2,5-8H2.
What are the key properties of 3-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one?
3-(3-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-(3-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one is sourced from PubChem (CID 82292100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).