7-(1-phenylcyclohexyl)azepan-2-one

C18H25NO — CID 101077852

IUPAC7-(1-phenylcyclohexyl)azepan-2-one
SMILESO=C1CCCCC(C2(c3ccccc3)CCCCC2)N1
InChIInChI=1S/C18H25NO/c20-17-12-6-5-11-16(19-17)18(13-7-2-8-14-18)15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2,(H,19,20)
InChIKeyKJKKWPHYDHCPOL-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.95
Rot. Bonds2

About 7-(1-phenylcyclohexyl)azepan-2-one

7-(1-phenylcyclohexyl)azepan-2-one (PubChem CID 101077852) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 7-(1-phenylcyclohexyl)azepan-2-one.

Molecular Properties

Compound Name7-(1-phenylcyclohexyl)azepan-2-one
PubChem CID101077852
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name7-(1-phenylcyclohexyl)azepan-2-one
SMILESO=C1CCCCC(C2(c3ccccc3)CCCCC2)N1
InChIInChI=1S/C18H25NO/c20-17-12-6-5-11-16(19-17)18(13-7-2-8-14-18)15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2,(H,19,20)
InChIKeyKJKKWPHYDHCPOL-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(1-phenylcyclohexyl)azepan-2-one?
The IUPAC name of 7-(1-phenylcyclohexyl)azepan-2-one (CID 101077852) is 7-(1-phenylcyclohexyl)azepan-2-one.
What is the SMILES notation for 7-(1-phenylcyclohexyl)azepan-2-one?
The canonical SMILES for 7-(1-phenylcyclohexyl)azepan-2-one is O=C1CCCCC(C2(c3ccccc3)CCCCC2)N1.
What is the InChIKey of 7-(1-phenylcyclohexyl)azepan-2-one?
The InChIKey is KJKKWPHYDHCPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c20-17-12-6-5-11-16(19-17)18(13-7-2-8-14-18)15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2,(H,19,20).
What are the key properties of 7-(1-phenylcyclohexyl)azepan-2-one?
7-(1-phenylcyclohexyl)azepan-2-one has a molecular weight of 271.40 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-phenylcyclohexyl)azepan-2-one is sourced from PubChem (CID 101077852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).