4-(4-propylphenyl)azetidin-2-one

C12H15NO — CID 66350088

IUPAC4-(4-propylphenyl)azetidin-2-one
SMILESCCCc1ccc(C2CC(=O)N2)cc1
InChIInChI=1S/C12H15NO/c1-2-3-9-4-6-10(7-5-9)11-8-12(14)13-11/h4-7,11H,2-3,8H2,1H3,(H,13,14)
InChIKeyLNWJNMZIUWXWKZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.20
Rot. Bonds3

About 4-(4-propylphenyl)azetidin-2-one

4-(4-propylphenyl)azetidin-2-one (PubChem CID 66350088) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(4-propylphenyl)azetidin-2-one.

Molecular Properties

Compound Name4-(4-propylphenyl)azetidin-2-one
PubChem CID66350088
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-(4-propylphenyl)azetidin-2-one
SMILESCCCc1ccc(C2CC(=O)N2)cc1
InChIInChI=1S/C12H15NO/c1-2-3-9-4-6-10(7-5-9)11-8-12(14)13-11/h4-7,11H,2-3,8H2,1H3,(H,13,14)
InChIKeyLNWJNMZIUWXWKZ-UHFFFAOYSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-propylphenyl)azetidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenyl)azetidin-2-one?
The IUPAC name of 4-(4-propylphenyl)azetidin-2-one (CID 66350088) is 4-(4-propylphenyl)azetidin-2-one.
What is the SMILES notation for 4-(4-propylphenyl)azetidin-2-one?
The canonical SMILES for 4-(4-propylphenyl)azetidin-2-one is CCCc1ccc(C2CC(=O)N2)cc1.
What is the InChIKey of 4-(4-propylphenyl)azetidin-2-one?
The InChIKey is LNWJNMZIUWXWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-3-9-4-6-10(7-5-9)11-8-12(14)13-11/h4-7,11H,2-3,8H2,1H3,(H,13,14).
What are the key properties of 4-(4-propylphenyl)azetidin-2-one?
4-(4-propylphenyl)azetidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenyl)azetidin-2-one is sourced from PubChem (CID 66350088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).