5-(2-methylphenyl)-3,4-dihydro-2H-1,4-oxazine

C11H13NO — CID 89484901

IUPAC5-(2-methylphenyl)-3,4-dihydro-2H-1,4-oxazine
SMILESCc1ccccc1C1=COCCN1
InChIInChI=1S/C11H13NO/c1-9-4-2-3-5-10(9)11-8-13-7-6-12-11/h2-5,8,12H,6-7H2,1H3
InChIKeyRMTLMNYCPIWLHM-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.91
Rot. Bonds1

About 5-(2-methylphenyl)-3,4-dihydro-2H-1,4-oxazine

5-(2-methylphenyl)-3,4-dihydro-2H-1,4-oxazine (PubChem CID 89484901) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-(2-methylphenyl)-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name5-(2-methylphenyl)-3,4-dihydro-2H-1,4-oxazine
PubChem CID89484901
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5-(2-methylphenyl)-3,4-dihydro-2H-1,4-oxazine
SMILESCc1ccccc1C1=COCCN1
InChIInChI=1S/C11H13NO/c1-9-4-2-3-5-10(9)11-8-13-7-6-12-11/h2-5,8,12H,6-7H2,1H3
InChIKeyRMTLMNYCPIWLHM-UHFFFAOYSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-methylphenyl)-3,4-dihydro-2H-1,4-oxazine 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 5-(2-methylphenyl)-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 5-(2-methylphenyl)-3,4-dihydro-2H-1,4-oxazine (CID 89484901) is 5-(2-methylphenyl)-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 5-(2-methylphenyl)-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 5-(2-methylphenyl)-3,4-dihydro-2H-1,4-oxazine is Cc1ccccc1C1=COCCN1.
What is the InChIKey of 5-(2-methylphenyl)-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is RMTLMNYCPIWLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-9-4-2-3-5-10(9)11-8-13-7-6-12-11/h2-5,8,12H,6-7H2,1H3.
What are the key properties of 5-(2-methylphenyl)-3,4-dihydro-2H-1,4-oxazine?
5-(2-methylphenyl)-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 175.23 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 89484901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).