1-(4-phenylbenzoyl)azetidin-3-one

C16H13NO2 — CID 67288829

IUPAC1-(4-phenylbenzoyl)azetidin-3-one
SMILESO=C1CN(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C16H13NO2/c18-15-10-17(11-15)16(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyJRMZZRAIKWPRNH-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.38
Rot. Bonds2

About 1-(4-phenylbenzoyl)azetidin-3-one

1-(4-phenylbenzoyl)azetidin-3-one (PubChem CID 67288829) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(4-phenylbenzoyl)azetidin-3-one.

Molecular Properties

Compound Name1-(4-phenylbenzoyl)azetidin-3-one
PubChem CID67288829
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name1-(4-phenylbenzoyl)azetidin-3-one
SMILESO=C1CN(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C16H13NO2/c18-15-10-17(11-15)16(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyJRMZZRAIKWPRNH-UHFFFAOYSA-N
XLogP2.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbenzoyl)azetidin-3-one?
The IUPAC name of 1-(4-phenylbenzoyl)azetidin-3-one (CID 67288829) is 1-(4-phenylbenzoyl)azetidin-3-one.
What is the SMILES notation for 1-(4-phenylbenzoyl)azetidin-3-one?
The canonical SMILES for 1-(4-phenylbenzoyl)azetidin-3-one is O=C1CN(C(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 1-(4-phenylbenzoyl)azetidin-3-one?
The InChIKey is JRMZZRAIKWPRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-15-10-17(11-15)16(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 1-(4-phenylbenzoyl)azetidin-3-one?
1-(4-phenylbenzoyl)azetidin-3-one has a molecular weight of 251.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbenzoyl)azetidin-3-one is sourced from PubChem (CID 67288829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).