1-(azetidin-1-yl)-2-phenylethanone

C11H13NO — CID 18670940

IUPAC1-(azetidin-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC1
InChIInChI=1S/C11H13NO/c13-11(12-7-4-8-12)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyHXFKEAUPENVJFI-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.46
Rot. Bonds2

About 1-(azetidin-1-yl)-2-phenylethanone

1-(azetidin-1-yl)-2-phenylethanone (PubChem CID 18670940) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-phenylethanone
PubChem CID18670940
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(azetidin-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC1
InChIInChI=1S/C11H13NO/c13-11(12-7-4-8-12)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKeyHXFKEAUPENVJFI-UHFFFAOYSA-N
XLogP1.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(azetidin-1-yl)-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
1-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 110798668
2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]acetic acid
CID 62825320
N-phenyl-4-(2-phenylacetyl)-1,4-diazepane-1-carboxamide
CID 110811558
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
2-phenyl-1-(4-prop-2-enyl-1,4-diazepan-1-yl)ethanone
CID 95750020
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone
CID 42852689
2-phenyl-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110808251
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 146130229

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-phenylethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-phenylethanone (CID 18670940) is 1-(azetidin-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-phenylethanone is O=C(Cc1ccccc1)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-phenylethanone?
The InChIKey is HXFKEAUPENVJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-11(12-7-4-8-12)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2.
What are the key properties of 1-(azetidin-1-yl)-2-phenylethanone?
1-(azetidin-1-yl)-2-phenylethanone has a molecular weight of 175.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 18670940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).