4,4-dimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine

C9H15NO — CID 154085791

IUPAC4,4-dimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine
SMILESC=C(C)C1=NC(C)(C)CCO1
InChIInChI=1S/C9H15NO/c1-7(2)8-10-9(3,4)5-6-11-8/h1,5-6H2,2-4H3
InChIKeyZIIGIOHQSPOFKT-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.16
Rot. Bonds1

About 4,4-dimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine

4,4-dimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine (PubChem CID 154085791) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4,4-dimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name4,4-dimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine
PubChem CID154085791
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4,4-dimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine
SMILESC=C(C)C1=NC(C)(C)CCO1
InChIInChI=1S/C9H15NO/c1-7(2)8-10-9(3,4)5-6-11-8/h1,5-6H2,2-4H3
InChIKeyZIIGIOHQSPOFKT-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine?
The IUPAC name of 4,4-dimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine (CID 154085791) is 4,4-dimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 4,4-dimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 4,4-dimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine is C=C(C)C1=NC(C)(C)CCO1.
What is the InChIKey of 4,4-dimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine?
The InChIKey is ZIIGIOHQSPOFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)8-10-9(3,4)5-6-11-8/h1,5-6H2,2-4H3.
What are the key properties of 4,4-dimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine?
4,4-dimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine has a molecular weight of 153.22 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 154085791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).