1-[3-(azetidine-1-carbonyl)phenyl]ethanone

C12H13NO2 — CID 146014974

IUPAC1-[3-(azetidine-1-carbonyl)phenyl]ethanone
SMILESCC(=O)c1cccc(C(=O)N2CCC2)c1
InChIInChI=1S/C12H13NO2/c1-9(14)10-4-2-5-11(8-10)12(15)13-6-3-7-13/h2,4-5,8H,3,6-7H2,1H3
InChIKeyDZPFMHNDEKWYMW-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.74
Rot. Bonds2

About 1-[3-(azetidine-1-carbonyl)phenyl]ethanone

1-[3-(azetidine-1-carbonyl)phenyl]ethanone (PubChem CID 146014974) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[3-(azetidine-1-carbonyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(azetidine-1-carbonyl)phenyl]ethanone
PubChem CID146014974
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-[3-(azetidine-1-carbonyl)phenyl]ethanone
SMILESCC(=O)c1cccc(C(=O)N2CCC2)c1
InChIInChI=1S/C12H13NO2/c1-9(14)10-4-2-5-11(8-10)12(15)13-6-3-7-13/h2,4-5,8H,3,6-7H2,1H3
InChIKeyDZPFMHNDEKWYMW-UHFFFAOYSA-N
XLogP1.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[4-(thiophene-3-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]ethanone
CID 137337558
3-(azetidine-1-carbonyl)benzoic acid
CID 127019188
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
azetidin-1-yl-(3-iodophenyl)methanone
CID 58181602
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
3-(azecane-1-carbonyl)benzamide
CID 66696565
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 95714528
methyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 110808690

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azetidine-1-carbonyl)phenyl]ethanone?
The IUPAC name of 1-[3-(azetidine-1-carbonyl)phenyl]ethanone (CID 146014974) is 1-[3-(azetidine-1-carbonyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(azetidine-1-carbonyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(azetidine-1-carbonyl)phenyl]ethanone is CC(=O)c1cccc(C(=O)N2CCC2)c1.
What is the InChIKey of 1-[3-(azetidine-1-carbonyl)phenyl]ethanone?
The InChIKey is DZPFMHNDEKWYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9(14)10-4-2-5-11(8-10)12(15)13-6-3-7-13/h2,4-5,8H,3,6-7H2,1H3.
What are the key properties of 1-[3-(azetidine-1-carbonyl)phenyl]ethanone?
1-[3-(azetidine-1-carbonyl)phenyl]ethanone has a molecular weight of 203.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azetidine-1-carbonyl)phenyl]ethanone is sourced from PubChem (CID 146014974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).