4-amino-1H-benzo[e][1,3]benzoxazol-2-one

C11H8N2O2 — CID 20524601

IUPAC4-amino-1H-benzo[e][1,3]benzoxazol-2-one
SMILESNc1cc2ccccc2c2[nH]c(=O)oc12
InChIInChI=1S/C11H8N2O2/c12-8-5-6-3-1-2-4-7(6)9-10(8)15-11(14)13-9/h1-5H,12H2,(H,13,14)
InChIKeyOJZMQRCFFBZBGF-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.86
Rot. Bonds

About 4-amino-1H-benzo[e][1,3]benzoxazol-2-one

4-amino-1H-benzo[e][1,3]benzoxazol-2-one (PubChem CID 20524601) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 4-amino-1H-benzo[e][1,3]benzoxazol-2-one.

Molecular Properties

Compound Name4-amino-1H-benzo[e][1,3]benzoxazol-2-one
PubChem CID20524601
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name4-amino-1H-benzo[e][1,3]benzoxazol-2-one
SMILESNc1cc2ccccc2c2[nH]c(=O)oc12
InChIInChI=1S/C11H8N2O2/c12-8-5-6-3-1-2-4-7(6)9-10(8)15-11(14)13-9/h1-5H,12H2,(H,13,14)
InChIKeyOJZMQRCFFBZBGF-UHFFFAOYSA-N
XLogP1.86
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1H-benzo[e][1,3]benzoxazol-2-one?
The IUPAC name of 4-amino-1H-benzo[e][1,3]benzoxazol-2-one (CID 20524601) is 4-amino-1H-benzo[e][1,3]benzoxazol-2-one.
What is the SMILES notation for 4-amino-1H-benzo[e][1,3]benzoxazol-2-one?
The canonical SMILES for 4-amino-1H-benzo[e][1,3]benzoxazol-2-one is Nc1cc2ccccc2c2[nH]c(=O)oc12.
What is the InChIKey of 4-amino-1H-benzo[e][1,3]benzoxazol-2-one?
The InChIKey is OJZMQRCFFBZBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c12-8-5-6-3-1-2-4-7(6)9-10(8)15-11(14)13-9/h1-5H,12H2,(H,13,14).
What are the key properties of 4-amino-1H-benzo[e][1,3]benzoxazol-2-one?
4-amino-1H-benzo[e][1,3]benzoxazol-2-one has a molecular weight of 200.20 g/mol, XLogP of 1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1H-benzo[e][1,3]benzoxazol-2-one is sourced from PubChem (CID 20524601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).