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

C11H11NO2 — CID 823661

IUPAC2-propyl-3,1-benzoxazin-4-one
SMILESCCCc1nc2ccccc2c(=O)o1
InChIInChI=1S/C11H11NO2/c1-2-5-10-12-9-7-4-3-6-8(9)11(13)14-10/h3-4,6-7H,2,5H2,1H3
InChIKeyUXLGTGPMUITKPA-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.14
Rot. Bonds2

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

2-propyl-3,1-benzoxazin-4-one (PubChem CID 823661) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-propyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-propyl-3,1-benzoxazin-4-one
PubChem CID823661
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-propyl-3,1-benzoxazin-4-one
SMILESCCCc1nc2ccccc2c(=O)o1
InChIInChI=1S/C11H11NO2/c1-2-5-10-12-9-7-4-3-6-8(9)11(13)14-10/h3-4,6-7H,2,5H2,1H3
InChIKeyUXLGTGPMUITKPA-UHFFFAOYSA-N
XLogP2.14
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-3,1-benzoxazin-4-one?
The IUPAC name of 2-propyl-3,1-benzoxazin-4-one (CID 823661) is 2-propyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-propyl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-propyl-3,1-benzoxazin-4-one is CCCc1nc2ccccc2c(=O)o1.
What is the InChIKey of 2-propyl-3,1-benzoxazin-4-one?
The InChIKey is UXLGTGPMUITKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-5-10-12-9-7-4-3-6-8(9)11(13)14-10/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 2-propyl-3,1-benzoxazin-4-one?
2-propyl-3,1-benzoxazin-4-one has a molecular weight of 189.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 823661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).