1-methyl-7-propan-2-ylazepan-2-one

C10H19NO — CID 19841549

IUPAC1-methyl-7-propan-2-ylazepan-2-one
SMILESCC(C)C1CCCCC(=O)N1C
InChIInChI=1S/C10H19NO/c1-8(2)9-6-4-5-7-10(12)11(9)3/h8-9H,4-7H2,1-3H3
InChIKeyKSAYPHFACZGEAZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.04
Rot. Bonds1

About 1-methyl-7-propan-2-ylazepan-2-one

1-methyl-7-propan-2-ylazepan-2-one (PubChem CID 19841549) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-methyl-7-propan-2-ylazepan-2-one.

Molecular Properties

Compound Name1-methyl-7-propan-2-ylazepan-2-one
PubChem CID19841549
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-methyl-7-propan-2-ylazepan-2-one
SMILESCC(C)C1CCCCC(=O)N1C
InChIInChI=1S/C10H19NO/c1-8(2)9-6-4-5-7-10(12)11(9)3/h8-9H,4-7H2,1-3H3
InChIKeyKSAYPHFACZGEAZ-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-7-propan-2-ylazepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-propan-2-ylazepan-2-one?
The IUPAC name of 1-methyl-7-propan-2-ylazepan-2-one (CID 19841549) is 1-methyl-7-propan-2-ylazepan-2-one.
What is the SMILES notation for 1-methyl-7-propan-2-ylazepan-2-one?
The canonical SMILES for 1-methyl-7-propan-2-ylazepan-2-one is CC(C)C1CCCCC(=O)N1C.
What is the InChIKey of 1-methyl-7-propan-2-ylazepan-2-one?
The InChIKey is KSAYPHFACZGEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)9-6-4-5-7-10(12)11(9)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-methyl-7-propan-2-ylazepan-2-one?
1-methyl-7-propan-2-ylazepan-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-propan-2-ylazepan-2-one is sourced from PubChem (CID 19841549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).