azepan-2-one;cyclohexane

C12H23NO — CID 70248400

IUPACazepan-2-one;cyclohexane
SMILESC1CCCCC1.O=C1CCCCCN1
InChIInChI=1S/C6H11NO.C6H12/c8-6-4-2-1-3-5-7-6;1-2-4-6-5-3-1/h1-5H2,(H,7,8);1-6H2
InChIKeyYCJYKJROJVSDIV-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.02
Rot. Bonds

About azepan-2-one;cyclohexane

azepan-2-one;cyclohexane (PubChem CID 70248400) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is azepan-2-one;cyclohexane.

Molecular Properties

Compound Nameazepan-2-one;cyclohexane
PubChem CID70248400
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nameazepan-2-one;cyclohexane
SMILESC1CCCCC1.O=C1CCCCCN1
InChIInChI=1S/C6H11NO.C6H12/c8-6-4-2-1-3-5-7-6;1-2-4-6-5-3-1/h1-5H2,(H,7,8);1-6H2
InChIKeyYCJYKJROJVSDIV-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azepan-2-one;cyclohexane?
The IUPAC name of azepan-2-one;cyclohexane (CID 70248400) is azepan-2-one;cyclohexane.
What is the SMILES notation for azepan-2-one;cyclohexane?
The canonical SMILES for azepan-2-one;cyclohexane is C1CCCCC1.O=C1CCCCCN1.
What is the InChIKey of azepan-2-one;cyclohexane?
The InChIKey is YCJYKJROJVSDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C6H12/c8-6-4-2-1-3-5-7-6;1-2-4-6-5-3-1/h1-5H2,(H,7,8);1-6H2.
What are the key properties of azepan-2-one;cyclohexane?
azepan-2-one;cyclohexane has a molecular weight of 197.32 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-one;cyclohexane is sourced from PubChem (CID 70248400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).