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

C10H13NO2 — CID 143798315

IUPAC5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one
SMILESC=CC1=C(/C=C\C)OC(=O)N(C)C1
InChIInChI=1S/C10H13NO2/c1-4-6-9-8(5-2)7-11(3)10(12)13-9/h4-6H,2,7H2,1,3H3/b6-4-
InChIKeyJMVMJEFTUVEZRR-XQRVVYSFSA-N
MW179.22 g/mol
LogP2.08
Rot. Bonds2

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

5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one (PubChem CID 143798315) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one.

Molecular Properties

Compound Name5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one
PubChem CID143798315
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one
SMILESC=CC1=C(/C=C\C)OC(=O)N(C)C1
InChIInChI=1S/C10H13NO2/c1-4-6-9-8(5-2)7-11(3)10(12)13-9/h4-6H,2,7H2,1,3H3/b6-4-
InChIKeyJMVMJEFTUVEZRR-XQRVVYSFSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

lithium phenyl N,N-diethylcarbamate
CID 25258917
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
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
3-methyl-5,6-bis[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one
CID 143839049
[(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate
CID 143885710
5,6-Bis(ethenyl)-3,4-dihydro-1,3-oxazin-2-one;ethane
CID 143894905
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
ethane;(5Z,6E)-5-ethylidene-3-methyl-6-propylidene-1,3-oxazinan-2-one
CID 144547296

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one?
The IUPAC name of 5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one (CID 143798315) is 5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one.
What is the SMILES notation for 5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one?
The canonical SMILES for 5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one is C=CC1=C(/C=C\C)OC(=O)N(C)C1.
What is the InChIKey of 5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one?
The InChIKey is JMVMJEFTUVEZRR-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-6-9-8(5-2)7-11(3)10(12)13-9/h4-6H,2,7H2,1,3H3/b6-4-.
What are the key properties of 5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one?
5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one has a molecular weight of 179.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-4H-1,3-oxazin-2-one is sourced from PubChem (CID 143798315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).