[1-(4-benzylphenyl)cyclobutyl]-pyridin-2-ylmethanone

C23H21NO — CID 66748660

IUPAC[1-(4-benzylphenyl)cyclobutyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)C1(c2ccc(Cc3ccccc3)cc2)CCC1
InChIInChI=1S/C23H21NO/c25-22(21-9-4-5-16-24-21)23(14-6-15-23)20-12-10-19(11-13-20)17-18-7-2-1-3-8-18/h1-5,7-13,16H,6,14-15,17H2
InChIKeyDVCIRDFMBCZFCQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.98
Rot. Bonds5

About [1-(4-benzylphenyl)cyclobutyl]-pyridin-2-ylmethanone

[1-(4-benzylphenyl)cyclobutyl]-pyridin-2-ylmethanone (PubChem CID 66748660) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is [1-(4-benzylphenyl)cyclobutyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[1-(4-benzylphenyl)cyclobutyl]-pyridin-2-ylmethanone
PubChem CID66748660
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name[1-(4-benzylphenyl)cyclobutyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)C1(c2ccc(Cc3ccccc3)cc2)CCC1
InChIInChI=1S/C23H21NO/c25-22(21-9-4-5-16-24-21)23(14-6-15-23)20-12-10-19(11-13-20)17-18-7-2-1-3-8-18/h1-5,7-13,16H,6,14-15,17H2
InChIKeyDVCIRDFMBCZFCQ-UHFFFAOYSA-N
XLogP4.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-benzylphenyl)cyclobutyl]-pyridin-2-ylmethanone?
The IUPAC name of [1-(4-benzylphenyl)cyclobutyl]-pyridin-2-ylmethanone (CID 66748660) is [1-(4-benzylphenyl)cyclobutyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [1-(4-benzylphenyl)cyclobutyl]-pyridin-2-ylmethanone?
The canonical SMILES for [1-(4-benzylphenyl)cyclobutyl]-pyridin-2-ylmethanone is O=C(c1ccccn1)C1(c2ccc(Cc3ccccc3)cc2)CCC1.
What is the InChIKey of [1-(4-benzylphenyl)cyclobutyl]-pyridin-2-ylmethanone?
The InChIKey is DVCIRDFMBCZFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c25-22(21-9-4-5-16-24-21)23(14-6-15-23)20-12-10-19(11-13-20)17-18-7-2-1-3-8-18/h1-5,7-13,16H,6,14-15,17H2.
What are the key properties of [1-(4-benzylphenyl)cyclobutyl]-pyridin-2-ylmethanone?
[1-(4-benzylphenyl)cyclobutyl]-pyridin-2-ylmethanone has a molecular weight of 327.43 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-benzylphenyl)cyclobutyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 66748660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).