4,4-dimethyl-6-prop-1-en-2-yloxazine

C9H13NO — CID 163933933

IUPAC4,4-dimethyl-6-prop-1-en-2-yloxazine
SMILESC=C(C)C1=CC(C)(C)C=NO1
InChIInChI=1S/C9H13NO/c1-7(2)8-5-9(3,4)6-10-11-8/h5-6H,1H2,2-4H3
InChIKeyRLBDYUJGAKVHHQ-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.49
Rot. Bonds1

About 4,4-dimethyl-6-prop-1-en-2-yloxazine

4,4-dimethyl-6-prop-1-en-2-yloxazine (PubChem CID 163933933) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4,4-dimethyl-6-prop-1-en-2-yloxazine.

Molecular Properties

Compound Name4,4-dimethyl-6-prop-1-en-2-yloxazine
PubChem CID163933933
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4,4-dimethyl-6-prop-1-en-2-yloxazine
SMILESC=C(C)C1=CC(C)(C)C=NO1
InChIInChI=1S/C9H13NO/c1-7(2)8-5-9(3,4)6-10-11-8/h5-6H,1H2,2-4H3
InChIKeyRLBDYUJGAKVHHQ-UHFFFAOYSA-N
XLogP2.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-6-prop-1-en-2-yloxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-prop-1-en-2-yloxazine?
The IUPAC name of 4,4-dimethyl-6-prop-1-en-2-yloxazine (CID 163933933) is 4,4-dimethyl-6-prop-1-en-2-yloxazine.
What is the SMILES notation for 4,4-dimethyl-6-prop-1-en-2-yloxazine?
The canonical SMILES for 4,4-dimethyl-6-prop-1-en-2-yloxazine is C=C(C)C1=CC(C)(C)C=NO1.
What is the InChIKey of 4,4-dimethyl-6-prop-1-en-2-yloxazine?
The InChIKey is RLBDYUJGAKVHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(2)8-5-9(3,4)6-10-11-8/h5-6H,1H2,2-4H3.
What are the key properties of 4,4-dimethyl-6-prop-1-en-2-yloxazine?
4,4-dimethyl-6-prop-1-en-2-yloxazine has a molecular weight of 151.21 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-prop-1-en-2-yloxazine is sourced from PubChem (CID 163933933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).