1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane

C14H23NO2 — CID 163241818

IUPAC1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane
SMILESC=CC1=C(C=C)OCC(C(=O)C(C)C)N1.CC
InChIInChI=1S/C12H17NO2.C2H6/c1-5-9-11(6-2)15-7-10(13-9)12(14)8(3)4;1-2/h5-6,8,10,13H,1-2,7H2,3-4H3;1-2H3
InChIKeyQFHPQRUSSZNLCP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.81
Rot. Bonds4

About 1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane

1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane (PubChem CID 163241818) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane.

Molecular Properties

Compound Name1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane
PubChem CID163241818
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane
SMILESC=CC1=C(C=C)OCC(C(=O)C(C)C)N1.CC
InChIInChI=1S/C12H17NO2.C2H6/c1-5-9-11(6-2)15-7-10(13-9)12(14)8(3)4;1-2/h5-6,8,10,13H,1-2,7H2,3-4H3;1-2H3
InChIKeyQFHPQRUSSZNLCP-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5,6-bis(ethenyl)-1,2,3,4-tetrahydropyridin-2-yl]-2-methylpropan-1-one
CID 163241810
1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one
CID 163241797
1-[4,5-bis[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one
CID 163241834
5,6-bis(ethenyl)-2,3-dihydro-1,4-dioxine-2-carboxamide;ethane
CID 142071064
2-methyl-1-(2-methylidene-1,3-thiazolidin-4-yl)propan-1-one
CID 130265533
(5S)-5-(2-methylpropanoyl)pyrrolidin-2-one
CID 59969678
methyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate
CID 126722990
2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one
CID 59038032
(6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione
CID 166510821
5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine
CID 156791644
2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one
CID 129290042
2-methyl-1-[2-(2-methylpropanoyl)cyclobutyl]propan-1-one
CID 176639154

Frequently Asked Questions

What is the IUPAC name of 1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane?
The IUPAC name of 1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane (CID 163241818) is 1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane.
What is the SMILES notation for 1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane?
The canonical SMILES for 1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane is C=CC1=C(C=C)OCC(C(=O)C(C)C)N1.CC.
What is the InChIKey of 1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane?
The InChIKey is QFHPQRUSSZNLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C2H6/c1-5-9-11(6-2)15-7-10(13-9)12(14)8(3)4;1-2/h5-6,8,10,13H,1-2,7H2,3-4H3;1-2H3.
What are the key properties of 1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane?
1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane has a molecular weight of 237.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane is sourced from PubChem (CID 163241818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).