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

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Related Compounds

2,4,6-trimethylhepta-2,4,6-trien-3-yl N,N-dimethylcarbamate
CID 123912105
pentalen-2-yl N,N-diethylcarbamate
CID 141609776
3,7-dimethyl-7H-cyclohepta[e][1,3]oxazine-2,4-dione
CID 142458899
3,7-Dimethyl-4,7-dihydrocyclohepta[e][1,3]oxazin-2-one
CID 142458909
5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-1,3-oxazine-2,4-dione
CID 143617825
5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one
CID 143798315
ethane;5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one
CID 143838743
5,6-bis(ethenyl)-3-methyl-4H-1,3-oxazin-2-one;ethane
CID 143838997
5,6-bis(ethenyl)-3-methyl-4H-1,3-oxazin-2-one;ethane
CID 143839029
[(2E)-2-ethenylpenta-2,4-dienyl] 3,6-dihydro-2H-pyridine-1-carboxylate
CID 143920352
acetylene;ethane;6-ethenyl-5-ethyl-3-methyl-4H-1,3-oxazin-2-one
CID 144007690
(5Z,6E)-5,6-di(ethylidene)-3-methyl-1,3-oxazinan-2-one;propane
CID 144545928

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).