2-methyl-3,4-dihydrooxazine

C5H9NO — CID 123699310

IUPAC2-methyl-3,4-dihydrooxazine
SMILESCN1CCC=CO1
InChIInChI=1S/C5H9NO/c1-6-4-2-3-5-7-6/h3,5H,2,4H2,1H3
InChIKeyXWUWVOHYRAFVTC-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.77
Rot. Bonds

About 2-methyl-3,4-dihydrooxazine

2-methyl-3,4-dihydrooxazine (PubChem CID 123699310) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-methyl-3,4-dihydrooxazine.

Molecular Properties

Compound Name2-methyl-3,4-dihydrooxazine
PubChem CID123699310
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-methyl-3,4-dihydrooxazine
SMILESCN1CCC=CO1
InChIInChI=1S/C5H9NO/c1-6-4-2-3-5-7-6/h3,5H,2,4H2,1H3
InChIKeyXWUWVOHYRAFVTC-UHFFFAOYSA-N
XLogP0.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3,4-dihydrooxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Vinyl-3,4-dihydrooxazine
CID 69792050
Ethoxy-1,4,5,6-tetrahydropyridine
CID 129779094
2-Lithiomethyl dihydrooxazine
CID 129669681
Bromomethyldihydrooxazine
CID 129710394
Hydroxymethyldihydrooxazine
CID 129815698
2-But-3-enyloxazine
CID 69220190
N-but-1-enoxy-N-ethylethanamine
CID 76548039
N-ethoxy-N-methylbut-3-en-1-amine oxide
CID 87074806
N-methoxy-N-methylbut-3-en-1-amine
CID 89064101
N-[(Z)-but-1-enoxy]-N-methylethanamine;ethane
CID 143023503
N-ethoxy-N-ethylbut-3-en-1-amine
CID 154089069
2-Ethyl-3,4-dihydrooxazine
CID 163891145

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydrooxazine?
The IUPAC name of 2-methyl-3,4-dihydrooxazine (CID 123699310) is 2-methyl-3,4-dihydrooxazine.
What is the SMILES notation for 2-methyl-3,4-dihydrooxazine?
The canonical SMILES for 2-methyl-3,4-dihydrooxazine is CN1CCC=CO1.
What is the InChIKey of 2-methyl-3,4-dihydrooxazine?
The InChIKey is XWUWVOHYRAFVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-6-4-2-3-5-7-6/h3,5H,2,4H2,1H3.
What are the key properties of 2-methyl-3,4-dihydrooxazine?
2-methyl-3,4-dihydrooxazine has a molecular weight of 99.13 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydrooxazine is sourced from PubChem (CID 123699310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).