3-acetyl-1-benzylazetidin-2-one

C12H13NO2 — CID 13222627

IUPAC3-acetyl-1-benzylazetidin-2-one
SMILESCC(=O)C1CN(Cc2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-9(14)11-8-13(12(11)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKeyQWOOLVXMGNODBC-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.23
Rot. Bonds3

About 3-acetyl-1-benzylazetidin-2-one

3-acetyl-1-benzylazetidin-2-one (PubChem CID 13222627) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-acetyl-1-benzylazetidin-2-one.

Molecular Properties

Compound Name3-acetyl-1-benzylazetidin-2-one
PubChem CID13222627
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-acetyl-1-benzylazetidin-2-one
SMILESCC(=O)C1CN(Cc2ccccc2)C1=O
InChIInChI=1S/C12H13NO2/c1-9(14)11-8-13(12(11)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKeyQWOOLVXMGNODBC-UHFFFAOYSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-1-benzylpyrrolidin-3-one
CID 73010900
methyl 1-benzyl-4-hydroxy-5-oxopyrrolidine-3-carboxylate
CID 74066079
(3S,4S)-1-benzyl-3-chloro-4-(chloromethyl)pyrrolidin-2-one
CID 101020826
1-[(2-methylphenyl)methyl]-2-oxoazetidine-3-carboxylic acid
CID 82472302
(3S)-1-benzyl-3-(3-methylbutanoyl)pyrrolidin-2-one
CID 67492991
(3R,4R)-1-benzyl-3-hydroxy-4-(hydroxymethyl)pyrrolidin-2-one
CID 11600997
(3S,4S)-1-benzyl-4-ethyl-3-methylpyrrolidin-2-one
CID 59034735
1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one
CID 59305555
1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone
CID 22882347
(1R,5S,7R)-3-benzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl chloride
CID 23643013
1-(1-benzyl-3-phenylazetidin-2-yl)ethanone
CID 86209046
(3S,4S)-3-amino-1-benzyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 156784354

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-benzylazetidin-2-one?
The IUPAC name of 3-acetyl-1-benzylazetidin-2-one (CID 13222627) is 3-acetyl-1-benzylazetidin-2-one.
What is the SMILES notation for 3-acetyl-1-benzylazetidin-2-one?
The canonical SMILES for 3-acetyl-1-benzylazetidin-2-one is CC(=O)C1CN(Cc2ccccc2)C1=O.
What is the InChIKey of 3-acetyl-1-benzylazetidin-2-one?
The InChIKey is QWOOLVXMGNODBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9(14)11-8-13(12(11)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3.
What are the key properties of 3-acetyl-1-benzylazetidin-2-one?
3-acetyl-1-benzylazetidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-benzylazetidin-2-one is sourced from PubChem (CID 13222627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).