1-benzhydrylazetidin-3-one

C16H15NO — CID 3735558

IUPAC1-benzhydrylazetidin-3-one
SMILESO=C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C16H15NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChIKeyAVUDXLOVIBJFQA-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.66
Rot. Bonds3

About 1-benzhydrylazetidin-3-one

1-benzhydrylazetidin-3-one (PubChem CID 3735558) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-benzhydrylazetidin-3-one.

Molecular Properties

Compound Name1-benzhydrylazetidin-3-one
PubChem CID3735558
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-benzhydrylazetidin-3-one
SMILESO=C1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C16H15NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChIKeyAVUDXLOVIBJFQA-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydrylazetidin-3-one?
The IUPAC name of 1-benzhydrylazetidin-3-one (CID 3735558) is 1-benzhydrylazetidin-3-one.
What is the SMILES notation for 1-benzhydrylazetidin-3-one?
The canonical SMILES for 1-benzhydrylazetidin-3-one is O=C1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydrylazetidin-3-one?
The InChIKey is AVUDXLOVIBJFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2.
What are the key properties of 1-benzhydrylazetidin-3-one?
1-benzhydrylazetidin-3-one has a molecular weight of 237.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydrylazetidin-3-one is sourced from PubChem (CID 3735558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).