3-ethenyl-2-ethyl-4-methyl-1,4-benzoxazine

C13H15NO — CID 143087076

IUPAC3-ethenyl-2-ethyl-4-methyl-1,4-benzoxazine
SMILESC=CC1=C(CC)Oc2ccccc2N1C
InChIInChI=1S/C13H15NO/c1-4-10-12(5-2)15-13-9-7-6-8-11(13)14(10)3/h4,6-9H,1,5H2,2-3H3
InChIKeyYDOCPMAPFSAJEV-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.32
Rot. Bonds2

About 3-ethenyl-2-ethyl-4-methyl-1,4-benzoxazine

3-ethenyl-2-ethyl-4-methyl-1,4-benzoxazine (PubChem CID 143087076) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-ethenyl-2-ethyl-4-methyl-1,4-benzoxazine.

Molecular Properties

Compound Name3-ethenyl-2-ethyl-4-methyl-1,4-benzoxazine
PubChem CID143087076
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-ethenyl-2-ethyl-4-methyl-1,4-benzoxazine
SMILESC=CC1=C(CC)Oc2ccccc2N1C
InChIInChI=1S/C13H15NO/c1-4-10-12(5-2)15-13-9-7-6-8-11(13)14(10)3/h4,6-9H,1,5H2,2-3H3
InChIKeyYDOCPMAPFSAJEV-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethenyl-2-ethyl-4-methyl-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

Related Compounds

(2E)-2-ethylidene-3-methyl-1,3-benzoxazole
CID 143296132
3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143961246
2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane
CID 145383928
10-[2-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]phenyl]phenoxazine
CID 163464448
2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine
CID 145125517
(1Z,3Z)-1,3-bis(3-methyl-1,3-benzoxazol-2-ylidene)propan-2-one
CID 58705031
2,3-bis(ethenyl)-1,4-dimethyl-1,4-benzazarsinine
CID 142248238
(2E)-2-(3-methyl-1,3-benzoxazol-2-ylidene)-3-sulfanylpropanenitrile
CID 134921533
(2Z)-2-[(2-chlorophenyl)methylidene]-4-methyl-1,4-benzoxazin-3-one
CID 155548818
9-ethenyl-10-methyl-7-methylidene-19-oxa-6-thia-10-azapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,8,11(16),12,14-heptaene
CID 144833330
3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]propanimidamide;diazene
CID 144748693
10-methyl-3-[(E)-2-phenylethenyl]phenoxazine
CID 23239028

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-ethyl-4-methyl-1,4-benzoxazine?
The IUPAC name of 3-ethenyl-2-ethyl-4-methyl-1,4-benzoxazine (CID 143087076) is 3-ethenyl-2-ethyl-4-methyl-1,4-benzoxazine.
What is the SMILES notation for 3-ethenyl-2-ethyl-4-methyl-1,4-benzoxazine?
The canonical SMILES for 3-ethenyl-2-ethyl-4-methyl-1,4-benzoxazine is C=CC1=C(CC)Oc2ccccc2N1C.
What is the InChIKey of 3-ethenyl-2-ethyl-4-methyl-1,4-benzoxazine?
The InChIKey is YDOCPMAPFSAJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-10-12(5-2)15-13-9-7-6-8-11(13)14(10)3/h4,6-9H,1,5H2,2-3H3.
What are the key properties of 3-ethenyl-2-ethyl-4-methyl-1,4-benzoxazine?
3-ethenyl-2-ethyl-4-methyl-1,4-benzoxazine has a molecular weight of 201.27 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-ethyl-4-methyl-1,4-benzoxazine is sourced from PubChem (CID 143087076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).