1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone

C14H17NO2 — CID 168514235

IUPAC1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone
SMILESCC(=O)c1cc(C(C)=O)cc(N2CCCC2)c1
InChIInChI=1S/C14H17NO2/c1-10(16)12-7-13(11(2)17)9-14(8-12)15-5-3-4-6-15/h7-9H,3-6H2,1-2H3
InChIKeyGWQXZNNMZCEEKH-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.69
Rot. Bonds3

About 1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone

1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone (PubChem CID 168514235) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone
PubChem CID168514235
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone
SMILESCC(=O)c1cc(C(C)=O)cc(N2CCCC2)c1
InChIInChI=1S/C14H17NO2/c1-10(16)12-7-13(11(2)17)9-14(8-12)15-5-3-4-6-15/h7-9H,3-6H2,1-2H3
InChIKeyGWQXZNNMZCEEKH-UHFFFAOYSA-N
XLogP2.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-5-piperidin-1-ylphenyl)ethanone
CID 82535446
5-(azepan-1-yl)benzene-1,3-dicarboxylic acid
CID 79694523
5-[4-(3,5-dicarboxyphenyl)piperazin-1-yl]benzene-1,3-dicarboxylic acid
CID 122230788
1-[3-chloro-5-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
CID 110453059
3-methoxy-5-pyrrolidin-1-ylbenzoic acid
CID 156591947
3-(azocan-1-yl)-5-bromobenzoic acid
CID 102822660
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992265
1-(4-amino-3-pyrrolidin-1-ylphenyl)ethanone
CID 165012746
3-fluoro-5-pyrrolidin-1-ylbenzoyl chloride
CID 87841147
4-(3-acetyl-5-propan-2-ylphenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 161246140
4-pyrrolidin-1-ylpyridine-2,6-dicarbonyl chloride
CID 101420002
N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108956184

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone?
The IUPAC name of 1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone (CID 168514235) is 1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone.
What is the SMILES notation for 1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone?
The canonical SMILES for 1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone is CC(=O)c1cc(C(C)=O)cc(N2CCCC2)c1.
What is the InChIKey of 1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone?
The InChIKey is GWQXZNNMZCEEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(16)12-7-13(11(2)17)9-14(8-12)15-5-3-4-6-15/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone?
1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone has a molecular weight of 231.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-5-pyrrolidin-1-ylphenyl)ethanone is sourced from PubChem (CID 168514235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).