7-(2-methylpropyl)azepan-2-one

C10H19NO — CID 10464722

IUPAC7-(2-methylpropyl)azepan-2-one
SMILESCC(C)CC1CCCCC(=O)N1
InChIInChI=1S/C10H19NO/c1-8(2)7-9-5-3-4-6-10(12)11-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyJJHOAXPOSWJRJG-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.09
Rot. Bonds2

About 7-(2-methylpropyl)azepan-2-one

7-(2-methylpropyl)azepan-2-one (PubChem CID 10464722) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 7-(2-methylpropyl)azepan-2-one.

Molecular Properties

Compound Name7-(2-methylpropyl)azepan-2-one
PubChem CID10464722
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name7-(2-methylpropyl)azepan-2-one
SMILESCC(C)CC1CCCCC(=O)N1
InChIInChI=1S/C10H19NO/c1-8(2)7-9-5-3-4-6-10(12)11-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyJJHOAXPOSWJRJG-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)azepan-2-one?
The IUPAC name of 7-(2-methylpropyl)azepan-2-one (CID 10464722) is 7-(2-methylpropyl)azepan-2-one.
What is the SMILES notation for 7-(2-methylpropyl)azepan-2-one?
The canonical SMILES for 7-(2-methylpropyl)azepan-2-one is CC(C)CC1CCCCC(=O)N1.
What is the InChIKey of 7-(2-methylpropyl)azepan-2-one?
The InChIKey is JJHOAXPOSWJRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)7-9-5-3-4-6-10(12)11-9/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 7-(2-methylpropyl)azepan-2-one?
7-(2-methylpropyl)azepan-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)azepan-2-one is sourced from PubChem (CID 10464722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).