3,6-dihydro-1H-furo[3,4-e]indole-8-carbaldehyde

C11H9NO2 — CID 177312110

IUPAC3,6-dihydro-1H-furo[3,4-e]indole-8-carbaldehyde
SMILESO=Cc1c[nH]c2ccc3c(c12)COC3
InChIInChI=1S/C11H9NO2/c13-4-8-3-12-10-2-1-7-5-14-6-9(7)11(8)10/h1-4,12H,5-6H2
InChIKeyYMSPQXQQWCQNTN-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.01
Rot. Bonds1

About 3,6-dihydro-1H-furo[3,4-e]indole-8-carbaldehyde

3,6-dihydro-1H-furo[3,4-e]indole-8-carbaldehyde (PubChem CID 177312110) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3,6-dihydro-1H-furo[3,4-e]indole-8-carbaldehyde.

Molecular Properties

Compound Name3,6-dihydro-1H-furo[3,4-e]indole-8-carbaldehyde
PubChem CID177312110
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name3,6-dihydro-1H-furo[3,4-e]indole-8-carbaldehyde
SMILESO=Cc1c[nH]c2ccc3c(c12)COC3
InChIInChI=1S/C11H9NO2/c13-4-8-3-12-10-2-1-7-5-14-6-9(7)11(8)10/h1-4,12H,5-6H2
InChIKeyYMSPQXQQWCQNTN-UHFFFAOYSA-N
XLogP2.01
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,6-dihydro-1H-furo[3,4-e]indole-8-carbaldehyde 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 3,6-dihydro-1H-furo[3,4-e]indole-8-carbaldehyde?
The IUPAC name of 3,6-dihydro-1H-furo[3,4-e]indole-8-carbaldehyde (CID 177312110) is 3,6-dihydro-1H-furo[3,4-e]indole-8-carbaldehyde.
What is the SMILES notation for 3,6-dihydro-1H-furo[3,4-e]indole-8-carbaldehyde?
The canonical SMILES for 3,6-dihydro-1H-furo[3,4-e]indole-8-carbaldehyde is O=Cc1c[nH]c2ccc3c(c12)COC3.
What is the InChIKey of 3,6-dihydro-1H-furo[3,4-e]indole-8-carbaldehyde?
The InChIKey is YMSPQXQQWCQNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-4-8-3-12-10-2-1-7-5-14-6-9(7)11(8)10/h1-4,12H,5-6H2.
What are the key properties of 3,6-dihydro-1H-furo[3,4-e]indole-8-carbaldehyde?
3,6-dihydro-1H-furo[3,4-e]indole-8-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-1H-furo[3,4-e]indole-8-carbaldehyde is sourced from PubChem (CID 177312110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).