2-prop-2-enyl-1,2-benzoxazine

C11H11NO — CID 66973495

IUPAC2-prop-2-enyl-1,2-benzoxazine
SMILESC=CCN1C=Cc2ccccc2O1
InChIInChI=1S/C11H11NO/c1-2-8-12-9-7-10-5-3-4-6-11(10)13-12/h2-7,9H,1,8H2
InChIKeyMHCYIEKASTVLGE-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.45
Rot. Bonds2

About 2-prop-2-enyl-1,2-benzoxazine

2-prop-2-enyl-1,2-benzoxazine (PubChem CID 66973495) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-prop-2-enyl-1,2-benzoxazine.

Molecular Properties

Compound Name2-prop-2-enyl-1,2-benzoxazine
PubChem CID66973495
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name2-prop-2-enyl-1,2-benzoxazine
SMILESC=CCN1C=Cc2ccccc2O1
InChIInChI=1S/C11H11NO/c1-2-8-12-9-7-10-5-3-4-6-11(10)13-12/h2-7,9H,1,8H2
InChIKeyMHCYIEKASTVLGE-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-prop-2-enyl-1,2-benzoxazine 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 2-prop-2-enyl-1,2-benzoxazine?
The IUPAC name of 2-prop-2-enyl-1,2-benzoxazine (CID 66973495) is 2-prop-2-enyl-1,2-benzoxazine.
What is the SMILES notation for 2-prop-2-enyl-1,2-benzoxazine?
The canonical SMILES for 2-prop-2-enyl-1,2-benzoxazine is C=CCN1C=Cc2ccccc2O1.
What is the InChIKey of 2-prop-2-enyl-1,2-benzoxazine?
The InChIKey is MHCYIEKASTVLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-8-12-9-7-10-5-3-4-6-11(10)13-12/h2-7,9H,1,8H2.
What are the key properties of 2-prop-2-enyl-1,2-benzoxazine?
2-prop-2-enyl-1,2-benzoxazine has a molecular weight of 173.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1,2-benzoxazine is sourced from PubChem (CID 66973495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).