2-(azepan-2-yl)cyclohexan-1-one;hydrochloride

C12H22ClNO — CID 71755705

IUPAC2-(azepan-2-yl)cyclohexan-1-one;hydrochloride
SMILESCl.O=C1CCCCC1C1CCCCCN1
InChIInChI=1S/C12H21NO.ClH/c14-12-8-4-3-6-10(12)11-7-2-1-5-9-13-11;/h10-11,13H,1-9H2;1H
InChIKeyLUOXFDQAEHLHDC-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.70
Rot. Bonds1

About 2-(azepan-2-yl)cyclohexan-1-one;hydrochloride

2-(azepan-2-yl)cyclohexan-1-one;hydrochloride (PubChem CID 71755705) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 2-(azepan-2-yl)cyclohexan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(azepan-2-yl)cyclohexan-1-one;hydrochloride
PubChem CID71755705
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name2-(azepan-2-yl)cyclohexan-1-one;hydrochloride
SMILESCl.O=C1CCCCC1C1CCCCCN1
InChIInChI=1S/C12H21NO.ClH/c14-12-8-4-3-6-10(12)11-7-2-1-5-9-13-11;/h10-11,13H,1-9H2;1H
InChIKeyLUOXFDQAEHLHDC-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Trans-Dihydrohomoanatoxin-A
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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-2-yl)cyclohexan-1-one;hydrochloride?
The IUPAC name of 2-(azepan-2-yl)cyclohexan-1-one;hydrochloride (CID 71755705) is 2-(azepan-2-yl)cyclohexan-1-one;hydrochloride.
What is the SMILES notation for 2-(azepan-2-yl)cyclohexan-1-one;hydrochloride?
The canonical SMILES for 2-(azepan-2-yl)cyclohexan-1-one;hydrochloride is Cl.O=C1CCCCC1C1CCCCCN1.
What is the InChIKey of 2-(azepan-2-yl)cyclohexan-1-one;hydrochloride?
The InChIKey is LUOXFDQAEHLHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO.ClH/c14-12-8-4-3-6-10(12)11-7-2-1-5-9-13-11;/h10-11,13H,1-9H2;1H.
What are the key properties of 2-(azepan-2-yl)cyclohexan-1-one;hydrochloride?
2-(azepan-2-yl)cyclohexan-1-one;hydrochloride has a molecular weight of 231.77 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-2-yl)cyclohexan-1-one;hydrochloride is sourced from PubChem (CID 71755705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).