3-propan-2-yl-5,6-dihydro-4H-1,3-benzoxazin-2-one

C11H15NO2 — CID 168941905

IUPAC3-propan-2-yl-5,6-dihydro-4H-1,3-benzoxazin-2-one
SMILESCC(C)N1CC2=C(C=CCC2)OC1=O
InChIInChI=1S/C11H15NO2/c1-8(2)12-7-9-5-3-4-6-10(9)14-11(12)13/h4,6,8H,3,5,7H2,1-2H3
InChIKeyDMNKFCHCCYFMIU-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.45
Rot. Bonds1

About 3-propan-2-yl-5,6-dihydro-4H-1,3-benzoxazin-2-one

3-propan-2-yl-5,6-dihydro-4H-1,3-benzoxazin-2-one (PubChem CID 168941905) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-propan-2-yl-5,6-dihydro-4H-1,3-benzoxazin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-5,6-dihydro-4H-1,3-benzoxazin-2-one
PubChem CID168941905
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-propan-2-yl-5,6-dihydro-4H-1,3-benzoxazin-2-one
SMILESCC(C)N1CC2=C(C=CCC2)OC1=O
InChIInChI=1S/C11H15NO2/c1-8(2)12-7-9-5-3-4-6-10(9)14-11(12)13/h4,6,8H,3,5,7H2,1-2H3
InChIKeyDMNKFCHCCYFMIU-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,6-dihydro-4H-1,3-benzoxazin-2-one?
The IUPAC name of 3-propan-2-yl-5,6-dihydro-4H-1,3-benzoxazin-2-one (CID 168941905) is 3-propan-2-yl-5,6-dihydro-4H-1,3-benzoxazin-2-one.
What is the SMILES notation for 3-propan-2-yl-5,6-dihydro-4H-1,3-benzoxazin-2-one?
The canonical SMILES for 3-propan-2-yl-5,6-dihydro-4H-1,3-benzoxazin-2-one is CC(C)N1CC2=C(C=CCC2)OC1=O.
What is the InChIKey of 3-propan-2-yl-5,6-dihydro-4H-1,3-benzoxazin-2-one?
The InChIKey is DMNKFCHCCYFMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)12-7-9-5-3-4-6-10(9)14-11(12)13/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of 3-propan-2-yl-5,6-dihydro-4H-1,3-benzoxazin-2-one?
3-propan-2-yl-5,6-dihydro-4H-1,3-benzoxazin-2-one has a molecular weight of 193.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,6-dihydro-4H-1,3-benzoxazin-2-one is sourced from PubChem (CID 168941905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).