6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine

C11H15NO — CID 28806806

IUPAC6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC(C)c1ccc2c(c1)NCCO2
InChIInChI=1S/C11H15NO/c1-8(2)9-3-4-11-10(7-9)12-5-6-13-11/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyIDYJPRMWUQJDGI-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.61
Rot. Bonds1

About 6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine

6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 28806806) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID28806806
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC(C)c1ccc2c(c1)NCCO2
InChIInChI=1S/C11H15NO/c1-8(2)9-3-4-11-10(7-9)12-5-6-13-11/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyIDYJPRMWUQJDGI-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.61
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-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine (CID 28806806) is 6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine is CC(C)c1ccc2c(c1)NCCO2.
What is the InChIKey of 6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is IDYJPRMWUQJDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(2)9-3-4-11-10(7-9)12-5-6-13-11/h3-4,7-8,12H,5-6H2,1-2H3.
What are the key properties of 6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine?
6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 177.25 g/mol, XLogP of 2.61, 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-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 28806806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).