[6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol

C12H19NO2 — CID 89334774

IUPAC[6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol
SMILESC=CC1=C(/C=C\C(C)C)NC(CO)CO1
InChIInChI=1S/C12H19NO2/c1-4-12-11(6-5-9(2)3)13-10(7-14)8-15-12/h4-6,9-10,13-14H,1,7-8H2,2-3H3/b6-5-
InChIKeyVXWIDNSWNAIHBK-WAYWQWQTSA-N
MW209.29 g/mol
LogP1.58
Rot. Bonds4

About [6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol

[6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol (PubChem CID 89334774) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is [6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol.

Molecular Properties

Compound Name[6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol
PubChem CID89334774
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name[6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol
SMILESC=CC1=C(/C=C\C(C)C)NC(CO)CO1
InChIInChI=1S/C12H19NO2/c1-4-12-11(6-5-9(2)3)13-10(7-14)8-15-12/h4-6,9-10,13-14H,1,7-8H2,2-3H3/b6-5-
InChIKeyVXWIDNSWNAIHBK-WAYWQWQTSA-N
XLogP1.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol?
The IUPAC name of [6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol (CID 89334774) is [6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol.
What is the SMILES notation for [6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol?
The canonical SMILES for [6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol is C=CC1=C(/C=C\C(C)C)NC(CO)CO1.
What is the InChIKey of [6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol?
The InChIKey is VXWIDNSWNAIHBK-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-12-11(6-5-9(2)3)13-10(7-14)8-15-12/h4-6,9-10,13-14H,1,7-8H2,2-3H3/b6-5-.
What are the key properties of [6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol?
[6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol has a molecular weight of 209.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazin-3-yl]methanol is sourced from PubChem (CID 89334774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).