4,4-dimethyl-6-[(E)-prop-1-enyl]oxazine

C9H13NO — CID 155597021

IUPAC4,4-dimethyl-6-[(E)-prop-1-enyl]oxazine
SMILESC/C=C/C1=CC(C)(C)C=NO1
InChIInChI=1S/C9H13NO/c1-4-5-8-6-9(2,3)7-10-11-8/h4-7H,1-3H3/b5-4+
InChIKeyWMRDSJLTDOOWRC-SNAWJCMRSA-N
MW151.21 g/mol
LogP2.49
Rot. Bonds1

About 4,4-dimethyl-6-[(E)-prop-1-enyl]oxazine

4,4-dimethyl-6-[(E)-prop-1-enyl]oxazine (PubChem CID 155597021) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4,4-dimethyl-6-[(E)-prop-1-enyl]oxazine.

Molecular Properties

Compound Name4,4-dimethyl-6-[(E)-prop-1-enyl]oxazine
PubChem CID155597021
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4,4-dimethyl-6-[(E)-prop-1-enyl]oxazine
SMILESC/C=C/C1=CC(C)(C)C=NO1
InChIInChI=1S/C9H13NO/c1-4-5-8-6-9(2,3)7-10-11-8/h4-7H,1-3H3/b5-4+
InChIKeyWMRDSJLTDOOWRC-SNAWJCMRSA-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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[(E)-prop-1-enyl]oxazine?
The IUPAC name of 4,4-dimethyl-6-[(E)-prop-1-enyl]oxazine (CID 155597021) is 4,4-dimethyl-6-[(E)-prop-1-enyl]oxazine.
What is the SMILES notation for 4,4-dimethyl-6-[(E)-prop-1-enyl]oxazine?
The canonical SMILES for 4,4-dimethyl-6-[(E)-prop-1-enyl]oxazine is C/C=C/C1=CC(C)(C)C=NO1.
What is the InChIKey of 4,4-dimethyl-6-[(E)-prop-1-enyl]oxazine?
The InChIKey is WMRDSJLTDOOWRC-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-5-8-6-9(2,3)7-10-11-8/h4-7H,1-3H3/b5-4+.
What are the key properties of 4,4-dimethyl-6-[(E)-prop-1-enyl]oxazine?
4,4-dimethyl-6-[(E)-prop-1-enyl]oxazine 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-[(E)-prop-1-enyl]oxazine is sourced from PubChem (CID 155597021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).