11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one

C14H11NO2 — CID 165346789

IUPAC11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one
SMILESO=C1Oc2ccccc2CCc2ncccc21
InChIInChI=1S/C14H11NO2/c16-14-11-5-3-9-15-12(11)8-7-10-4-1-2-6-13(10)17-14/h1-6,9H,7-8H2
InChIKeyBYFWBPJVTDIZSR-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.40
Rot. Bonds

About 11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one

11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one (PubChem CID 165346789) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one
PubChem CID165346789
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one
SMILESO=C1Oc2ccccc2CCc2ncccc21
InChIInChI=1S/C14H11NO2/c16-14-11-5-3-9-15-12(11)8-7-10-4-1-2-6-13(10)17-14/h1-6,9H,7-8H2
InChIKeyBYFWBPJVTDIZSR-UHFFFAOYSA-N
XLogP2.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one?
The IUPAC name of 11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one (CID 165346789) is 11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one.
What is the SMILES notation for 11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one?
The canonical SMILES for 11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one is O=C1Oc2ccccc2CCc2ncccc21.
What is the InChIKey of 11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one?
The InChIKey is BYFWBPJVTDIZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14-11-5-3-9-15-12(11)8-7-10-4-1-2-6-13(10)17-14/h1-6,9H,7-8H2.
What are the key properties of 11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one?
11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one has a molecular weight of 225.25 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one is sourced from PubChem (CID 165346789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).