3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one

C11H15NO2 — CID 143839049

IUPAC3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one
SMILESC/C=C\C1=C(/C=C\C)OC(=O)N(C)C1
InChIInChI=1S/C11H15NO2/c1-4-6-9-8-12(3)11(13)14-10(9)7-5-2/h4-7H,8H2,1-3H3/b6-4-,7-5-
InChIKeyIVHICTMBWNUHHX-PEPZGXQESA-N
MW193.25 g/mol
LogP2.47
Rot. Bonds2

About 3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one

3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one (PubChem CID 143839049) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one.

Molecular Properties

Compound Name3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one
PubChem CID143839049
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one
SMILESC/C=C\C1=C(/C=C\C)OC(=O)N(C)C1
InChIInChI=1S/C11H15NO2/c1-4-6-9-8-12(3)11(13)14-10(9)7-5-2/h4-7H,8H2,1-3H3/b6-4-,7-5-
InChIKeyIVHICTMBWNUHHX-PEPZGXQESA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one 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-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one?
The IUPAC name of 3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one (CID 143839049) is 3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one.
What is the SMILES notation for 3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one?
The canonical SMILES for 3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one is C/C=C\C1=C(/C=C\C)OC(=O)N(C)C1.
What is the InChIKey of 3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one?
The InChIKey is IVHICTMBWNUHHX-PEPZGXQESA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-6-9-8-12(3)11(13)14-10(9)7-5-2/h4-7H,8H2,1-3H3/b6-4-,7-5-.
What are the key properties of 3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one?
3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one has a molecular weight of 193.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one is sourced from PubChem (CID 143839049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).