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

C13H16ClNO — CID 116560934

IUPAC1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one
SMILESO=C(Cc1ccccc1Cl)CC1CCCN1
InChIInChI=1S/C13H16ClNO/c14-13-6-2-1-4-10(13)8-12(16)9-11-5-3-7-15-11/h1-2,4,6,11,15H,3,5,7-9H2
InChIKeyXJIJYKGIQGSUJZ-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.59
Rot. Bonds4

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

1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one (PubChem CID 116560934) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one
PubChem CID116560934
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one
SMILESO=C(Cc1ccccc1Cl)CC1CCCN1
InChIInChI=1S/C13H16ClNO/c14-13-6-2-1-4-10(13)8-12(16)9-11-5-3-7-15-11/h1-2,4,6,11,15H,3,5,7-9H2
InChIKeyXJIJYKGIQGSUJZ-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

1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119754563
1-phenyl-3-piperidin-2-ylpropan-2-one
CID 22237365
1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560826
1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560927
N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898
4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 70184380
(2S)-2-[(2-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 103289465
2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide
CID 119703587
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139677
3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
CID 82292099
1-(2-amino-5-bromophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 175308522

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one (CID 116560934) is 1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one is O=C(Cc1ccccc1Cl)CC1CCCN1.
What is the InChIKey of 1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one?
The InChIKey is XJIJYKGIQGSUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-13-6-2-1-4-10(13)8-12(16)9-11-5-3-7-15-11/h1-2,4,6,11,15H,3,5,7-9H2.
What are the key properties of 1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one?
1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-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 1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one is sourced from PubChem (CID 116560934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).