5,5-dimethylazepan-2-one;hydrochloride

C8H16ClNO — CID 155820040

IUPAC5,5-dimethylazepan-2-one;hydrochloride
SMILESCC1(C)CCNC(=O)CC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-8(2)4-3-7(10)9-6-5-8;/h3-6H2,1-2H3,(H,9,10);1H
InChIKeyLPSXFUBSIVVDNA-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.73
Rot. Bonds

About 5,5-dimethylazepan-2-one;hydrochloride

5,5-dimethylazepan-2-one;hydrochloride (PubChem CID 155820040) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 5,5-dimethylazepan-2-one;hydrochloride.

Molecular Properties

Compound Name5,5-dimethylazepan-2-one;hydrochloride
PubChem CID155820040
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name5,5-dimethylazepan-2-one;hydrochloride
SMILESCC1(C)CCNC(=O)CC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-8(2)4-3-7(10)9-6-5-8;/h3-6H2,1-2H3,(H,9,10);1H
InChIKeyLPSXFUBSIVVDNA-UHFFFAOYSA-N
XLogP1.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylazepan-2-one;hydrochloride?
The IUPAC name of 5,5-dimethylazepan-2-one;hydrochloride (CID 155820040) is 5,5-dimethylazepan-2-one;hydrochloride.
What is the SMILES notation for 5,5-dimethylazepan-2-one;hydrochloride?
The canonical SMILES for 5,5-dimethylazepan-2-one;hydrochloride is CC1(C)CCNC(=O)CC1.Cl.
What is the InChIKey of 5,5-dimethylazepan-2-one;hydrochloride?
The InChIKey is LPSXFUBSIVVDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-8(2)4-3-7(10)9-6-5-8;/h3-6H2,1-2H3,(H,9,10);1H.
What are the key properties of 5,5-dimethylazepan-2-one;hydrochloride?
5,5-dimethylazepan-2-one;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylazepan-2-one;hydrochloride is sourced from PubChem (CID 155820040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).