3,4-dihydro-2H-1,4-benzoxazine

C8H9NO — CID 585096

IUPAC3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc2c(c1)NCCO2
InChIInChI=1S/C8H9NO/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9H,5-6H2
InChIKeyYRLORWPBJZEGBX-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.49
Rot. Bonds

About 3,4-dihydro-2H-1,4-benzoxazine

3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 585096) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-benzoxazine
PubChem CID585096
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc2c(c1)NCCO2
InChIInChI=1S/C8H9NO/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9H,5-6H2
InChIKeyYRLORWPBJZEGBX-UHFFFAOYSA-N
XLogP1.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4-dihydro-2H-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 3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 3,4-dihydro-2H-1,4-benzoxazine (CID 585096) is 3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzoxazine is c1ccc2c(c1)NCCO2.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is YRLORWPBJZEGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9H,5-6H2.
What are the key properties of 3,4-dihydro-2H-1,4-benzoxazine?
3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 135.17 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 585096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).