4-ethenyl-3-methyl-6-methylidene-1,3-oxazinan-2-one

C8H11NO2 — CID 123412476

IUPAC4-ethenyl-3-methyl-6-methylidene-1,3-oxazinan-2-one
SMILESC=CC1CC(=C)OC(=O)N1C
InChIInChI=1S/C8H11NO2/c1-4-7-5-6(2)11-8(10)9(7)3/h4,7H,1-2,5H2,3H3
InChIKeyGJXZHXQEQNQEAQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.53
Rot. Bonds1

About 4-ethenyl-3-methyl-6-methylidene-1,3-oxazinan-2-one

4-ethenyl-3-methyl-6-methylidene-1,3-oxazinan-2-one (PubChem CID 123412476) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-ethenyl-3-methyl-6-methylidene-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-ethenyl-3-methyl-6-methylidene-1,3-oxazinan-2-one
PubChem CID123412476
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-ethenyl-3-methyl-6-methylidene-1,3-oxazinan-2-one
SMILESC=CC1CC(=C)OC(=O)N1C
InChIInChI=1S/C8H11NO2/c1-4-7-5-6(2)11-8(10)9(7)3/h4,7H,1-2,5H2,3H3
InChIKeyGJXZHXQEQNQEAQ-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-Trimethyl-6-methylidene-1,3-oxazinan-2-one
CID 123483339
3,4-Dimethyl-6-methylidene-1,3-oxazinan-2-one
CID 123553471
4-Ethyl-3-methyl-6-methylidene-1,3-oxazinan-2-one
CID 123732945
6-Methylidene-3-prop-2-enyl-1,3-oxazinan-2-one
CID 123806537
(4aR,8S)-8-methyl-3-methylidene-4,4a,5,8-tetrahydropyrido[1,2-c][1,3]oxazin-1-one
CID 16658085
(4S,6S)-3-but-3-enyl-4-ethenyl-6-methyl-1,3-oxazinan-2-one
CID 44254540
tert-butyl (4S)-4-ethenyl-1,3-oxazinane-3-carboxylate
CID 177511400

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-methyl-6-methylidene-1,3-oxazinan-2-one?
The IUPAC name of 4-ethenyl-3-methyl-6-methylidene-1,3-oxazinan-2-one (CID 123412476) is 4-ethenyl-3-methyl-6-methylidene-1,3-oxazinan-2-one.
What is the SMILES notation for 4-ethenyl-3-methyl-6-methylidene-1,3-oxazinan-2-one?
The canonical SMILES for 4-ethenyl-3-methyl-6-methylidene-1,3-oxazinan-2-one is C=CC1CC(=C)OC(=O)N1C.
What is the InChIKey of 4-ethenyl-3-methyl-6-methylidene-1,3-oxazinan-2-one?
The InChIKey is GJXZHXQEQNQEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-4-7-5-6(2)11-8(10)9(7)3/h4,7H,1-2,5H2,3H3.
What are the key properties of 4-ethenyl-3-methyl-6-methylidene-1,3-oxazinan-2-one?
4-ethenyl-3-methyl-6-methylidene-1,3-oxazinan-2-one has a molecular weight of 153.18 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-methyl-6-methylidene-1,3-oxazinan-2-one is sourced from PubChem (CID 123412476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).