1-propanoylazepan-4-one

C9H15NO2 — CID 18675736

IUPAC1-propanoylazepan-4-one
SMILESCCC(=O)N1CCCC(=O)CC1
InChIInChI=1S/C9H15NO2/c1-2-9(12)10-6-3-4-8(11)5-7-10/h2-7H2,1H3
InChIKeyNMZZXAARHXKQAQ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.98
Rot. Bonds1

About 1-propanoylazepan-4-one

1-propanoylazepan-4-one (PubChem CID 18675736) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-propanoylazepan-4-one.

Molecular Properties

Compound Name1-propanoylazepan-4-one
PubChem CID18675736
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-propanoylazepan-4-one
SMILESCCC(=O)N1CCCC(=O)CC1
InChIInChI=1S/C9H15NO2/c1-2-9(12)10-6-3-4-8(11)5-7-10/h2-7H2,1H3
InChIKeyNMZZXAARHXKQAQ-UHFFFAOYSA-N
XLogP0.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-propanoylazepan-4-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
1-(azepan-1-yl)propan-1-one
CID 3613534
ethene;1-pyrrolidin-1-ylpropan-1-one
CID 158024233
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
butyl 4-oxoazepane-1-carboxylate
CID 23137098
formic acid;1-pyrrolidin-1-ylpropan-1-one
CID 142278991
1-[2-(methylamino)acetyl]piperidin-4-one
CID 110479082
1-(pyrrolidine-1-carbonyl)piperidin-4-one
CID 59312557
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 158896356
1-acetylpiperidin-4-one;ethane
CID 91328133
1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one
CID 79389678

Frequently Asked Questions

What is the IUPAC name of 1-propanoylazepan-4-one?
The IUPAC name of 1-propanoylazepan-4-one (CID 18675736) is 1-propanoylazepan-4-one.
What is the SMILES notation for 1-propanoylazepan-4-one?
The canonical SMILES for 1-propanoylazepan-4-one is CCC(=O)N1CCCC(=O)CC1.
What is the InChIKey of 1-propanoylazepan-4-one?
The InChIKey is NMZZXAARHXKQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-9(12)10-6-3-4-8(11)5-7-10/h2-7H2,1H3.
What are the key properties of 1-propanoylazepan-4-one?
1-propanoylazepan-4-one has a molecular weight of 169.22 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoylazepan-4-one is sourced from PubChem (CID 18675736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).