4-cyclopropyl-2,3-benzoxazin-1-one

C11H9NO2 — CID 121219899

IUPAC4-cyclopropyl-2,3-benzoxazin-1-one
SMILESO=c1onc(C2CC2)c2ccccc12
InChIInChI=1S/C11H9NO2/c13-11-9-4-2-1-3-8(9)10(12-14-11)7-5-6-7/h1-4,7H,5-6H2
InChIKeyCBCSVNIIAZRWKS-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.07
Rot. Bonds1

About 4-cyclopropyl-2,3-benzoxazin-1-one

4-cyclopropyl-2,3-benzoxazin-1-one (PubChem CID 121219899) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-cyclopropyl-2,3-benzoxazin-1-one.

Molecular Properties

Compound Name4-cyclopropyl-2,3-benzoxazin-1-one
PubChem CID121219899
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name4-cyclopropyl-2,3-benzoxazin-1-one
SMILESO=c1onc(C2CC2)c2ccccc12
InChIInChI=1S/C11H9NO2/c13-11-9-4-2-1-3-8(9)10(12-14-11)7-5-6-7/h1-4,7H,5-6H2
InChIKeyCBCSVNIIAZRWKS-UHFFFAOYSA-N
XLogP2.07
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2,3-benzoxazin-1-one?
The IUPAC name of 4-cyclopropyl-2,3-benzoxazin-1-one (CID 121219899) is 4-cyclopropyl-2,3-benzoxazin-1-one.
What is the SMILES notation for 4-cyclopropyl-2,3-benzoxazin-1-one?
The canonical SMILES for 4-cyclopropyl-2,3-benzoxazin-1-one is O=c1onc(C2CC2)c2ccccc12.
What is the InChIKey of 4-cyclopropyl-2,3-benzoxazin-1-one?
The InChIKey is CBCSVNIIAZRWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-11-9-4-2-1-3-8(9)10(12-14-11)7-5-6-7/h1-4,7H,5-6H2.
What are the key properties of 4-cyclopropyl-2,3-benzoxazin-1-one?
4-cyclopropyl-2,3-benzoxazin-1-one has a molecular weight of 187.20 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2,3-benzoxazin-1-one is sourced from PubChem (CID 121219899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).