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

C12H19NO — CID 166865317

IUPAC6-[(E)-2,3-dimethylbut-1-enyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine
SMILESC=CC1=C(/C=C(\C)C(C)C)OCCN1
InChIInChI=1S/C12H19NO/c1-5-11-12(14-7-6-13-11)8-10(4)9(2)3/h5,8-9,13H,1,6-7H2,2-4H3/b10-8+
InChIKeyPRSBUUHLCIKLQK-CSKARUKUSA-N
MW193.29 g/mol
LogP2.61
Rot. Bonds3

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

6-[(E)-2,3-dimethylbut-1-enyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine (PubChem CID 166865317) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 6-[(E)-2,3-dimethylbut-1-enyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name6-[(E)-2,3-dimethylbut-1-enyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine
PubChem CID166865317
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name6-[(E)-2,3-dimethylbut-1-enyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine
SMILESC=CC1=C(/C=C(\C)C(C)C)OCCN1
InChIInChI=1S/C12H19NO/c1-5-11-12(14-7-6-13-11)8-10(4)9(2)3/h5,8-9,13H,1,6-7H2,2-4H3/b10-8+
InChIKeyPRSBUUHLCIKLQK-CSKARUKUSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2,3-dimethylbut-1-enyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 6-[(E)-2,3-dimethylbut-1-enyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine (CID 166865317) is 6-[(E)-2,3-dimethylbut-1-enyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 6-[(E)-2,3-dimethylbut-1-enyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 6-[(E)-2,3-dimethylbut-1-enyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine is C=CC1=C(/C=C(\C)C(C)C)OCCN1.
What is the InChIKey of 6-[(E)-2,3-dimethylbut-1-enyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is PRSBUUHLCIKLQK-CSKARUKUSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-11-12(14-7-6-13-11)8-10(4)9(2)3/h5,8-9,13H,1,6-7H2,2-4H3/b10-8+.
What are the key properties of 6-[(E)-2,3-dimethylbut-1-enyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine?
6-[(E)-2,3-dimethylbut-1-enyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 193.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2,3-dimethylbut-1-enyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 166865317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).