2-ethenyl-4,4,5-trimethyl-5,6-dihydro-1,3-oxazine

C9H15NO — CID 139831195

IUPAC2-ethenyl-4,4,5-trimethyl-5,6-dihydro-1,3-oxazine
SMILESC=CC1=NC(C)(C)C(C)CO1
InChIInChI=1S/C9H15NO/c1-5-8-10-9(3,4)7(2)6-11-8/h5,7H,1,6H2,2-4H3
InChIKeyQUDVIIVCOBCQNF-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.02
Rot. Bonds1

About 2-ethenyl-4,4,5-trimethyl-5,6-dihydro-1,3-oxazine

2-ethenyl-4,4,5-trimethyl-5,6-dihydro-1,3-oxazine (PubChem CID 139831195) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-ethenyl-4,4,5-trimethyl-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name2-ethenyl-4,4,5-trimethyl-5,6-dihydro-1,3-oxazine
PubChem CID139831195
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-ethenyl-4,4,5-trimethyl-5,6-dihydro-1,3-oxazine
SMILESC=CC1=NC(C)(C)C(C)CO1
InChIInChI=1S/C9H15NO/c1-5-8-10-9(3,4)7(2)6-11-8/h5,7H,1,6H2,2-4H3
InChIKeyQUDVIIVCOBCQNF-UHFFFAOYSA-N
XLogP2.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Dihydro-4,4,6-trimethyl-2-vinyl-4H-1,3-oxazine
CID 90992
5,6-Dihydro-4,4-dimethyl-2-vinyl-4H-1,3-oxazine
CID 11970480
2-ethenyl-4,5-dimethyl-5,6-dihydro-4H-1,3-oxazine
CID 172789077
4,4,5-Trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine
CID 175199770
(6S)-2-ethenyl-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
CID 6931650
(6R)-2-ethenyl-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
CID 6931651

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,4,5-trimethyl-5,6-dihydro-1,3-oxazine?
The IUPAC name of 2-ethenyl-4,4,5-trimethyl-5,6-dihydro-1,3-oxazine (CID 139831195) is 2-ethenyl-4,4,5-trimethyl-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 2-ethenyl-4,4,5-trimethyl-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 2-ethenyl-4,4,5-trimethyl-5,6-dihydro-1,3-oxazine is C=CC1=NC(C)(C)C(C)CO1.
What is the InChIKey of 2-ethenyl-4,4,5-trimethyl-5,6-dihydro-1,3-oxazine?
The InChIKey is QUDVIIVCOBCQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-8-10-9(3,4)7(2)6-11-8/h5,7H,1,6H2,2-4H3.
What are the key properties of 2-ethenyl-4,4,5-trimethyl-5,6-dihydro-1,3-oxazine?
2-ethenyl-4,4,5-trimethyl-5,6-dihydro-1,3-oxazine has a molecular weight of 153.22 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,4,5-trimethyl-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 139831195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).