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

C14H10N2O2 — CID 838395

IUPAC2-(2-aminophenyl)-3,1-benzoxazin-4-one
SMILESNc1ccccc1-c1nc2ccccc2c(=O)o1
InChIInChI=1S/C14H10N2O2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H,15H2
InChIKeyNSEDDEBVJPEPRI-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.44
Rot. Bonds1

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

2-(2-aminophenyl)-3,1-benzoxazin-4-one (PubChem CID 838395) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(2-aminophenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-aminophenyl)-3,1-benzoxazin-4-one
PubChem CID838395
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-(2-aminophenyl)-3,1-benzoxazin-4-one
SMILESNc1ccccc1-c1nc2ccccc2c(=O)o1
InChIInChI=1S/C14H10N2O2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H,15H2
InChIKeyNSEDDEBVJPEPRI-UHFFFAOYSA-N
XLogP2.44
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2-aminophenyl)-3,1-benzoxazin-4-one (CID 838395) is 2-(2-aminophenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2-aminophenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2-aminophenyl)-3,1-benzoxazin-4-one is Nc1ccccc1-c1nc2ccccc2c(=O)o1.
What is the InChIKey of 2-(2-aminophenyl)-3,1-benzoxazin-4-one?
The InChIKey is NSEDDEBVJPEPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H,15H2.
What are the key properties of 2-(2-aminophenyl)-3,1-benzoxazin-4-one?
2-(2-aminophenyl)-3,1-benzoxazin-4-one has a molecular weight of 238.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 838395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).