4-ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine

C10H15NO — CID 137444009

IUPAC4-ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
SMILESCCN1CCOC2C=CC=CC21
InChIInChI=1S/C10H15NO/c1-2-11-7-8-12-10-6-4-3-5-9(10)11/h3-6,9-10H,2,7-8H2,1H3
InChIKeyOZLYJYKSAYSYDQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.20
Rot. Bonds1

About 4-ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine

4-ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine (PubChem CID 137444009) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
PubChem CID137444009
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine
SMILESCCN1CCOC2C=CC=CC21
InChIInChI=1S/C10H15NO/c1-2-11-7-8-12-10-6-4-3-5-9(10)11/h3-6,9-10H,2,7-8H2,1H3
InChIKeyOZLYJYKSAYSYDQ-UHFFFAOYSA-N
XLogP1.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine 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 4-ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine?
The IUPAC name of 4-ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine (CID 137444009) is 4-ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine.
What is the SMILES notation for 4-ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine?
The canonical SMILES for 4-ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine is CCN1CCOC2C=CC=CC21.
What is the InChIKey of 4-ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine?
The InChIKey is OZLYJYKSAYSYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-11-7-8-12-10-6-4-3-5-9(10)11/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of 4-ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine?
4-ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine has a molecular weight of 165.24 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3,4a,8a-tetrahydro-1,4-benzoxazine is sourced from PubChem (CID 137444009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).