7-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one

C11H13NO2 — CID 135209315

IUPAC7-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one
SMILESCC(C)c1ccc2c(c1)NC(=O)OC2
InChIInChI=1S/C11H13NO2/c1-7(2)8-3-4-9-6-14-11(13)12-10(9)5-8/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyXNWRAQARRNZCLR-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.87
Rot. Bonds1

About 7-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one

7-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one (PubChem CID 135209315) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 7-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name7-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one
PubChem CID135209315
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name7-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one
SMILESCC(C)c1ccc2c(c1)NC(=O)OC2
InChIInChI=1S/C11H13NO2/c1-7(2)8-3-4-9-6-14-11(13)12-10(9)5-8/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyXNWRAQARRNZCLR-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one?
The IUPAC name of 7-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one (CID 135209315) is 7-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one.
What is the SMILES notation for 7-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one?
The canonical SMILES for 7-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one is CC(C)c1ccc2c(c1)NC(=O)OC2.
What is the InChIKey of 7-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one?
The InChIKey is XNWRAQARRNZCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7(2)8-3-4-9-6-14-11(13)12-10(9)5-8/h3-5,7H,6H2,1-2H3,(H,12,13).
What are the key properties of 7-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one?
7-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one has a molecular weight of 191.23 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one is sourced from PubChem (CID 135209315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).