azepan-2-one;cyclohexylmethanol

C13H25NO2 — CID 175528099

IUPACazepan-2-one;cyclohexylmethanol
SMILESO=C1CCCCCN1.OCC1CCCCC1
InChIInChI=1S/C7H14O.C6H11NO/c8-6-7-4-2-1-3-5-7;8-6-4-2-1-3-5-7-6/h7-8H,1-6H2;1-5H2,(H,7,8)
InChIKeyBVVMPZIXAIVSRH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.24
Rot. Bonds1

About azepan-2-one;cyclohexylmethanol

azepan-2-one;cyclohexylmethanol (PubChem CID 175528099) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is azepan-2-one;cyclohexylmethanol.

Molecular Properties

Compound Nameazepan-2-one;cyclohexylmethanol
PubChem CID175528099
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameazepan-2-one;cyclohexylmethanol
SMILESO=C1CCCCCN1.OCC1CCCCC1
InChIInChI=1S/C7H14O.C6H11NO/c8-6-7-4-2-1-3-5-7;8-6-4-2-1-3-5-7-6/h7-8H,1-6H2;1-5H2,(H,7,8)
InChIKeyBVVMPZIXAIVSRH-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azepan-2-one;cyclohexylmethanol?
The IUPAC name of azepan-2-one;cyclohexylmethanol (CID 175528099) is azepan-2-one;cyclohexylmethanol.
What is the SMILES notation for azepan-2-one;cyclohexylmethanol?
The canonical SMILES for azepan-2-one;cyclohexylmethanol is O=C1CCCCCN1.OCC1CCCCC1.
What is the InChIKey of azepan-2-one;cyclohexylmethanol?
The InChIKey is BVVMPZIXAIVSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C6H11NO/c8-6-7-4-2-1-3-5-7;8-6-4-2-1-3-5-7-6/h7-8H,1-6H2;1-5H2,(H,7,8).
What are the key properties of azepan-2-one;cyclohexylmethanol?
azepan-2-one;cyclohexylmethanol has a molecular weight of 227.35 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-one;cyclohexylmethanol is sourced from PubChem (CID 175528099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).