1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one

C15H21NO — CID 161251993

IUPAC1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one
SMILESCC(C)N1CC(CC(=O)Cc2ccccc2)C1
InChIInChI=1S/C15H21NO/c1-12(2)16-10-14(11-16)9-15(17)8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyVBJTYGHUKKSCCS-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.53
Rot. Bonds5

About 1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one

1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one (PubChem CID 161251993) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one
PubChem CID161251993
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one
SMILESCC(C)N1CC(CC(=O)Cc2ccccc2)C1
InChIInChI=1S/C15H21NO/c1-12(2)16-10-14(11-16)9-15(17)8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyVBJTYGHUKKSCCS-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-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 1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one?
The IUPAC name of 1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one (CID 161251993) is 1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one.
What is the SMILES notation for 1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one?
The canonical SMILES for 1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one is CC(C)N1CC(CC(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one?
The InChIKey is VBJTYGHUKKSCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(2)16-10-14(11-16)9-15(17)8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of 1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one?
1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one has a molecular weight of 231.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one is sourced from PubChem (CID 161251993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).