5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-one

C12H11NO3 — CID 847728

IUPAC5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-one
SMILESCOc1cc2cc[nH]c2c2c1OCCC2=O
InChIInChI=1S/C12H11NO3/c1-15-9-6-7-2-4-13-11(7)10-8(14)3-5-16-12(9)10/h2,4,6,13H,3,5H2,1H3
InChIKeyJQSDDEOTKCXZRJ-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.14
Rot. Bonds1

About 5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-one

5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-one (PubChem CID 847728) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-one.

Molecular Properties

Compound Name5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-one
PubChem CID847728
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-one
SMILESCOc1cc2cc[nH]c2c2c1OCCC2=O
InChIInChI=1S/C12H11NO3/c1-15-9-6-7-2-4-13-11(7)10-8(14)3-5-16-12(9)10/h2,4,6,13H,3,5H2,1H3
InChIKeyJQSDDEOTKCXZRJ-UHFFFAOYSA-N
XLogP2.14
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-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 5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-one?
The IUPAC name of 5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-one (CID 847728) is 5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-one.
What is the SMILES notation for 5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-one?
The canonical SMILES for 5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-one is COc1cc2cc[nH]c2c2c1OCCC2=O.
What is the InChIKey of 5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-one?
The InChIKey is JQSDDEOTKCXZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-15-9-6-7-2-4-13-11(7)10-8(14)3-5-16-12(9)10/h2,4,6,13H,3,5H2,1H3.
What are the key properties of 5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-one?
5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-one has a molecular weight of 217.22 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-one is sourced from PubChem (CID 847728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).