6-propan-2-yl-2H-1,2-benzoxazine

C11H13NO — CID 178028695

IUPAC6-propan-2-yl-2H-1,2-benzoxazine
SMILESCC(C)c1ccc2c(c1)C=CNO2
InChIInChI=1S/C11H13NO/c1-8(2)9-3-4-11-10(7-9)5-6-12-13-11/h3-8,12H,1-2H3
InChIKeyGLBHJIUWXCHCPL-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.68
Rot. Bonds1

About 6-propan-2-yl-2H-1,2-benzoxazine

6-propan-2-yl-2H-1,2-benzoxazine (PubChem CID 178028695) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 6-propan-2-yl-2H-1,2-benzoxazine.

Molecular Properties

Compound Name6-propan-2-yl-2H-1,2-benzoxazine
PubChem CID178028695
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name6-propan-2-yl-2H-1,2-benzoxazine
SMILESCC(C)c1ccc2c(c1)C=CNO2
InChIInChI=1S/C11H13NO/c1-8(2)9-3-4-11-10(7-9)5-6-12-13-11/h3-8,12H,1-2H3
InChIKeyGLBHJIUWXCHCPL-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2H-1,2-benzoxazine?
The IUPAC name of 6-propan-2-yl-2H-1,2-benzoxazine (CID 178028695) is 6-propan-2-yl-2H-1,2-benzoxazine.
What is the SMILES notation for 6-propan-2-yl-2H-1,2-benzoxazine?
The canonical SMILES for 6-propan-2-yl-2H-1,2-benzoxazine is CC(C)c1ccc2c(c1)C=CNO2.
What is the InChIKey of 6-propan-2-yl-2H-1,2-benzoxazine?
The InChIKey is GLBHJIUWXCHCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8(2)9-3-4-11-10(7-9)5-6-12-13-11/h3-8,12H,1-2H3.
What are the key properties of 6-propan-2-yl-2H-1,2-benzoxazine?
6-propan-2-yl-2H-1,2-benzoxazine has a molecular weight of 175.23 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2H-1,2-benzoxazine is sourced from PubChem (CID 178028695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).