1,3,4,5-tetrahydroazonin-2-one

C8H11NO — CID 91167036

IUPAC1,3,4,5-tetrahydroazonin-2-one
SMILESO=C1CCCC=CC=CN1
InChIInChI=1S/C8H11NO/c10-8-6-4-2-1-3-5-7-9-8/h1,3,5,7H,2,4,6H2,(H,9,10)
InChIKeyPJMKTAPCMJWABU-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.36
Rot. Bonds

About 1,3,4,5-tetrahydroazonin-2-one

1,3,4,5-tetrahydroazonin-2-one (PubChem CID 91167036) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1,3,4,5-tetrahydroazonin-2-one.

Molecular Properties

Compound Name1,3,4,5-tetrahydroazonin-2-one
PubChem CID91167036
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1,3,4,5-tetrahydroazonin-2-one
SMILESO=C1CCCC=CC=CN1
InChIInChI=1S/C8H11NO/c10-8-6-4-2-1-3-5-7-9-8/h1,3,5,7H,2,4,6H2,(H,9,10)
InChIKeyPJMKTAPCMJWABU-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,3,4,5-tetrahydroazonin-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 1,3,4,5-tetrahydroazonin-2-one?
The IUPAC name of 1,3,4,5-tetrahydroazonin-2-one (CID 91167036) is 1,3,4,5-tetrahydroazonin-2-one.
What is the SMILES notation for 1,3,4,5-tetrahydroazonin-2-one?
The canonical SMILES for 1,3,4,5-tetrahydroazonin-2-one is O=C1CCCC=CC=CN1.
What is the InChIKey of 1,3,4,5-tetrahydroazonin-2-one?
The InChIKey is PJMKTAPCMJWABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c10-8-6-4-2-1-3-5-7-9-8/h1,3,5,7H,2,4,6H2,(H,9,10).
What are the key properties of 1,3,4,5-tetrahydroazonin-2-one?
1,3,4,5-tetrahydroazonin-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetrahydroazonin-2-one is sourced from PubChem (CID 91167036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).