1,2-benzoxazonine

C11H9NO — CID 70629016

IUPAC1,2-benzoxazonine
SMILESc1ccnoc2ccccc2cc1
InChIInChI=1S/C11H9NO/c1-2-6-10-7-3-4-8-11(10)13-12-9-5-1/h1-9H/b5-1-,6-2-,12-9-
InChIKeyPNIORWXSBLJLLZ-SCBVRIFCSA-N
MW171.20 g/mol
LogP2.95
Rot. Bonds

About 1,2-benzoxazonine

1,2-benzoxazonine (PubChem CID 70629016) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 1,2-benzoxazonine.

Molecular Properties

Compound Name1,2-benzoxazonine
PubChem CID70629016
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name1,2-benzoxazonine
SMILESc1ccnoc2ccccc2cc1
InChIInChI=1S/C11H9NO/c1-2-6-10-7-3-4-8-11(10)13-12-9-5-1/h1-9H/b5-1-,6-2-,12-9-
InChIKeyPNIORWXSBLJLLZ-SCBVRIFCSA-N
XLogP2.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazonine?
The IUPAC name of 1,2-benzoxazonine (CID 70629016) is 1,2-benzoxazonine.
What is the SMILES notation for 1,2-benzoxazonine?
The canonical SMILES for 1,2-benzoxazonine is c1ccnoc2ccccc2cc1.
What is the InChIKey of 1,2-benzoxazonine?
The InChIKey is PNIORWXSBLJLLZ-SCBVRIFCSA-N. The full InChI is InChI=1S/C11H9NO/c1-2-6-10-7-3-4-8-11(10)13-12-9-5-1/h1-9H/b5-1-,6-2-,12-9-.
What are the key properties of 1,2-benzoxazonine?
1,2-benzoxazonine has a molecular weight of 171.20 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzoxazonine is sourced from PubChem (CID 70629016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).