2,3,4,5-tetrahydrooxazepin-3-amine

C5H10N2O — CID 66663137

IUPAC2,3,4,5-tetrahydrooxazepin-3-amine
SMILESNC1CCC=CON1
InChIInChI=1S/C5H10N2O/c6-5-3-1-2-4-8-7-5/h2,4-5,7H,1,3,6H2
InChIKeyLWJOBPGIYHLSFG-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.10
Rot. Bonds

About 2,3,4,5-tetrahydrooxazepin-3-amine

2,3,4,5-tetrahydrooxazepin-3-amine (PubChem CID 66663137) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2,3,4,5-tetrahydrooxazepin-3-amine.

Molecular Properties

Compound Name2,3,4,5-tetrahydrooxazepin-3-amine
PubChem CID66663137
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2,3,4,5-tetrahydrooxazepin-3-amine
SMILESNC1CCC=CON1
InChIInChI=1S/C5H10N2O/c6-5-3-1-2-4-8-7-5/h2,4-5,7H,1,3,6H2
InChIKeyLWJOBPGIYHLSFG-UHFFFAOYSA-N
XLogP0.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3,4,5-tetrahydrooxazepin-3-amine 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 2,3,4,5-tetrahydrooxazepin-3-amine?
The IUPAC name of 2,3,4,5-tetrahydrooxazepin-3-amine (CID 66663137) is 2,3,4,5-tetrahydrooxazepin-3-amine.
What is the SMILES notation for 2,3,4,5-tetrahydrooxazepin-3-amine?
The canonical SMILES for 2,3,4,5-tetrahydrooxazepin-3-amine is NC1CCC=CON1.
What is the InChIKey of 2,3,4,5-tetrahydrooxazepin-3-amine?
The InChIKey is LWJOBPGIYHLSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c6-5-3-1-2-4-8-7-5/h2,4-5,7H,1,3,6H2.
What are the key properties of 2,3,4,5-tetrahydrooxazepin-3-amine?
2,3,4,5-tetrahydrooxazepin-3-amine has a molecular weight of 114.15 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydrooxazepin-3-amine is sourced from PubChem (CID 66663137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).