2-(propylamino)-3,1-benzoxazin-4-one

C11H12N2O2 — CID 10397988

IUPAC2-(propylamino)-3,1-benzoxazin-4-one
SMILESCCCNc1nc2ccccc2c(=O)o1
InChIInChI=1S/C11H12N2O2/c1-2-7-12-11-13-9-6-4-3-5-8(9)10(14)15-11/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyQTUULNVXRXRNIL-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.01
Rot. Bonds3

About 2-(propylamino)-3,1-benzoxazin-4-one

2-(propylamino)-3,1-benzoxazin-4-one (PubChem CID 10397988) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(propylamino)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(propylamino)-3,1-benzoxazin-4-one
PubChem CID10397988
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(propylamino)-3,1-benzoxazin-4-one
SMILESCCCNc1nc2ccccc2c(=O)o1
InChIInChI=1S/C11H12N2O2/c1-2-7-12-11-13-9-6-4-3-5-8(9)10(14)15-11/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyQTUULNVXRXRNIL-UHFFFAOYSA-N
XLogP2.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(propylamino)-3,1-benzoxazin-4-one (CID 10397988) is 2-(propylamino)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(propylamino)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(propylamino)-3,1-benzoxazin-4-one is CCCNc1nc2ccccc2c(=O)o1.
What is the InChIKey of 2-(propylamino)-3,1-benzoxazin-4-one?
The InChIKey is QTUULNVXRXRNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-7-12-11-13-9-6-4-3-5-8(9)10(14)15-11/h3-6H,2,7H2,1H3,(H,12,13).
What are the key properties of 2-(propylamino)-3,1-benzoxazin-4-one?
2-(propylamino)-3,1-benzoxazin-4-one has a molecular weight of 204.23 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-3,1-benzoxazin-4-one is sourced from PubChem (CID 10397988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).