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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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).