5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde

C12H9NO2 — CID 115007429

IUPAC5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde
SMILESCc1cccc2c1oc1cc(C=O)[nH]c12
InChIInChI=1S/C12H9NO2/c1-7-3-2-4-9-11-10(15-12(7)9)5-8(6-14)13-11/h2-6,13H,1H3
InChIKeyRFYUOVNMBRASDC-UHFFFAOYSA-N
MW199.21 g/mol
LogP3.04
Rot. Bonds1

About 5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde

5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde (PubChem CID 115007429) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde
PubChem CID115007429
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde
SMILESCc1cccc2c1oc1cc(C=O)[nH]c12
InChIInChI=1S/C12H9NO2/c1-7-3-2-4-9-11-10(15-12(7)9)5-8(6-14)13-11/h2-6,13H,1H3
InChIKeyRFYUOVNMBRASDC-UHFFFAOYSA-N
XLogP3.04
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-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 5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde?
The IUPAC name of 5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde (CID 115007429) is 5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde?
The canonical SMILES for 5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde is Cc1cccc2c1oc1cc(C=O)[nH]c12.
What is the InChIKey of 5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde?
The InChIKey is RFYUOVNMBRASDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-7-3-2-4-9-11-10(15-12(7)9)5-8(6-14)13-11/h2-6,13H,1H3.
What are the key properties of 5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde?
5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde has a molecular weight of 199.21 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde is sourced from PubChem (CID 115007429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).