1-methyl-4-phenylazetidin-2-one

C10H11NO — CID 12695619

IUPAC1-methyl-4-phenylazetidin-2-one
SMILESCN1C(=O)CC1c1ccccc1
InChIInChI=1S/C10H11NO/c1-11-9(7-10(11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyASDWIKWXDGXALE-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.59
Rot. Bonds1

About 1-methyl-4-phenylazetidin-2-one

1-methyl-4-phenylazetidin-2-one (PubChem CID 12695619) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-methyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name1-methyl-4-phenylazetidin-2-one
PubChem CID12695619
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-methyl-4-phenylazetidin-2-one
SMILESCN1C(=O)CC1c1ccccc1
InChIInChI=1S/C10H11NO/c1-11-9(7-10(11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyASDWIKWXDGXALE-UHFFFAOYSA-N
XLogP1.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Diethyl-2-phenylacetamide
CID 17076
N,N-Diethylbenzamide
CID 15542
Tebutam
CID 92299
Melinamide
CID 20054967
1-Benzylazepan-2-one
CID 1491068
4-Phenylazetidin-2-one
CID 568818
N,N-Dibutylbenzamide
CID 32774
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N-benzyl-N-isopropyl-3-phenylpropanamide
CID 875288
N-Benzyl-N-methyl-2-phenylacetamide
CID 692800
2-Azetidinone, 3-ethyl-N-methyl-3-phenyl-
CID 15898
N-Benzyldodecanamide
CID 54134

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylazetidin-2-one?
The IUPAC name of 1-methyl-4-phenylazetidin-2-one (CID 12695619) is 1-methyl-4-phenylazetidin-2-one.
What is the SMILES notation for 1-methyl-4-phenylazetidin-2-one?
The canonical SMILES for 1-methyl-4-phenylazetidin-2-one is CN1C(=O)CC1c1ccccc1.
What is the InChIKey of 1-methyl-4-phenylazetidin-2-one?
The InChIKey is ASDWIKWXDGXALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-11-9(7-10(11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of 1-methyl-4-phenylazetidin-2-one?
1-methyl-4-phenylazetidin-2-one has a molecular weight of 161.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylazetidin-2-one is sourced from PubChem (CID 12695619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).