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

C11H17NO — CID 89334732

IUPAC6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine
SMILESC=CC1=C(/C=C\C(C)C)NCCO1
InChIInChI=1S/C11H17NO/c1-4-11-10(6-5-9(2)3)12-7-8-13-11/h4-6,9,12H,1,7-8H2,2-3H3/b6-5-
InChIKeyKDLOGWOVBDUFMB-WAYWQWQTSA-N
MW179.26 g/mol
LogP2.22
Rot. Bonds3

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

6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine (PubChem CID 89334732) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine
PubChem CID89334732
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine
SMILESC=CC1=C(/C=C\C(C)C)NCCO1
InChIInChI=1S/C11H17NO/c1-4-11-10(6-5-9(2)3)12-7-8-13-11/h4-6,9,12H,1,7-8H2,2-3H3/b6-5-
InChIKeyKDLOGWOVBDUFMB-WAYWQWQTSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-oxazine?
The IUPAC name of 6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine (CID 89334732) is 6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine is C=CC1=C(/C=C\C(C)C)NCCO1.
What is the InChIKey of 6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is KDLOGWOVBDUFMB-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-11-10(6-5-9(2)3)12-7-8-13-11/h4-6,9,12H,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-oxazine?
6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 179.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 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-oxazine is sourced from PubChem (CID 89334732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).