1-(cyclobutylmethyl)-5-phenylazepan-2-one

C17H23NO — CID 163319391

IUPAC1-(cyclobutylmethyl)-5-phenylazepan-2-one
SMILESO=C1CCC(c2ccccc2)CCN1CC1CCC1
InChIInChI=1S/C17H23NO/c19-17-10-9-16(15-7-2-1-3-8-15)11-12-18(17)13-14-5-4-6-14/h1-3,7-8,14,16H,4-6,9-13H2
InChIKeyANQIUNSNMGRIFG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.58
Rot. Bonds3

About 1-(cyclobutylmethyl)-5-phenylazepan-2-one

1-(cyclobutylmethyl)-5-phenylazepan-2-one (PubChem CID 163319391) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-5-phenylazepan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-5-phenylazepan-2-one
PubChem CID163319391
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(cyclobutylmethyl)-5-phenylazepan-2-one
SMILESO=C1CCC(c2ccccc2)CCN1CC1CCC1
InChIInChI=1S/C17H23NO/c19-17-10-9-16(15-7-2-1-3-8-15)11-12-18(17)13-14-5-4-6-14/h1-3,7-8,14,16H,4-6,9-13H2
InChIKeyANQIUNSNMGRIFG-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-5-phenylazepan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-5-phenylazepan-2-one (CID 163319391) is 1-(cyclobutylmethyl)-5-phenylazepan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-5-phenylazepan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-5-phenylazepan-2-one is O=C1CCC(c2ccccc2)CCN1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-5-phenylazepan-2-one?
The InChIKey is ANQIUNSNMGRIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-17-10-9-16(15-7-2-1-3-8-15)11-12-18(17)13-14-5-4-6-14/h1-3,7-8,14,16H,4-6,9-13H2.
What are the key properties of 1-(cyclobutylmethyl)-5-phenylazepan-2-one?
1-(cyclobutylmethyl)-5-phenylazepan-2-one has a molecular weight of 257.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-5-phenylazepan-2-one is sourced from PubChem (CID 163319391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).