5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine

C10H15NO — CID 139397113

IUPAC5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
SMILESC=C(C)/C=C\C1=C(C)NCCO1
InChIInChI=1S/C10H15NO/c1-8(2)4-5-10-9(3)11-6-7-12-10/h4-5,11H,1,6-7H2,2-3H3/b5-4-
InChIKeyDDVLHHLQOFOEIE-PLNGDYQASA-N
MW165.24 g/mol
LogP1.97
Rot. Bonds2

About 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine

5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine (PubChem CID 139397113) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
PubChem CID139397113
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
SMILESC=C(C)/C=C\C1=C(C)NCCO1
InChIInChI=1S/C10H15NO/c1-8(2)4-5-10-9(3)11-6-7-12-10/h4-5,11H,1,6-7H2,2-3H3/b5-4-
InChIKeyDDVLHHLQOFOEIE-PLNGDYQASA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-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-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine (CID 139397113) is 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine is C=C(C)/C=C\C1=C(C)NCCO1.
What is the InChIKey of 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is DDVLHHLQOFOEIE-PLNGDYQASA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)4-5-10-9(3)11-6-7-12-10/h4-5,11H,1,6-7H2,2-3H3/b5-4-.
What are the key properties of 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine?
5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 165.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 139397113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).