11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol

C16H15NO2 — CID 42635064

IUPAC11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol
SMILESOC1(C2CC2)c2ccccc2OCc2ncccc21
InChIInChI=1S/C16H15NO2/c18-16(11-7-8-11)12-5-3-9-17-14(12)10-19-15-6-2-1-4-13(15)16/h1-6,9,11,18H,7-8,10H2
InChIKeyAFJNYBWPYTVXIL-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.62
Rot. Bonds1

About 11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol

11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol (PubChem CID 42635064) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol.

Molecular Properties

Compound Name11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol
PubChem CID42635064
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol
SMILESOC1(C2CC2)c2ccccc2OCc2ncccc21
InChIInChI=1S/C16H15NO2/c18-16(11-7-8-11)12-5-3-9-17-14(12)10-19-15-6-2-1-4-13(15)16/h1-6,9,11,18H,7-8,10H2
InChIKeyAFJNYBWPYTVXIL-UHFFFAOYSA-N
XLogP2.62
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol 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-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol?
The IUPAC name of 11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol (CID 42635064) is 11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol.
What is the SMILES notation for 11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol?
The canonical SMILES for 11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol is OC1(C2CC2)c2ccccc2OCc2ncccc21.
What is the InChIKey of 11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol?
The InChIKey is AFJNYBWPYTVXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16(11-7-8-11)12-5-3-9-17-14(12)10-19-15-6-2-1-4-13(15)16/h1-6,9,11,18H,7-8,10H2.
What are the key properties of 11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol?
11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol has a molecular weight of 253.30 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol is sourced from PubChem (CID 42635064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).