[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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Related Compounds

CID 70330097
CID 70330097
CID 89334732
CID 89334732
CID 143066023
CID 143066023
CID 143533168
CID 143533168
CID 143663534
CID 143663534
CID 166865317
CID 166865317
CID 143663535
CID 143663535
CID 144444802
CID 144444802

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).