3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde

C8H7NO3 — CID 96633557

IUPAC3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde
SMILESCOc1coc2[nH]c(C=O)cc12
InChIInChI=1S/C8H7NO3/c1-11-7-4-12-8-6(7)2-5(3-10)9-8/h2-4,9H,1H3
InChIKeyAEEGFSPFGMQYAH-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.58
Rot. Bonds2

About 3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde

3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde (PubChem CID 96633557) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde.

Molecular Properties

Compound Name3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde
PubChem CID96633557
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde
SMILESCOc1coc2[nH]c(C=O)cc12
InChIInChI=1S/C8H7NO3/c1-11-7-4-12-8-6(7)2-5(3-10)9-8/h2-4,9H,1H3
InChIKeyAEEGFSPFGMQYAH-UHFFFAOYSA-N
XLogP1.58
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde
CID 132915513
6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde
CID 135333306
5-methoxy-6-methyl-1H-indole-2-carbaldehyde
CID 82404708
2-(3,4,5-trimethoxyphenyl)-1H-imidazole-5-carbaldehyde
CID 95468133
4,6-dimethoxy-1-benzofuran-7-carbaldehyde
CID 82396117
2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde
CID 135071312
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde
CID 115007665
4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde
CID 139231177
6,7-dimethoxy-1-benzofuran-3-carbaldehyde
CID 131462840
5-methoxy-1-benzofuran-3-carbaldehyde
CID 25131833
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde?
The IUPAC name of 3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde (CID 96633557) is 3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde.
What is the SMILES notation for 3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde?
The canonical SMILES for 3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde is COc1coc2[nH]c(C=O)cc12.
What is the InChIKey of 3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde?
The InChIKey is AEEGFSPFGMQYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c1-11-7-4-12-8-6(7)2-5(3-10)9-8/h2-4,9H,1H3.
What are the key properties of 3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde?
3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde has a molecular weight of 165.15 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde is sourced from PubChem (CID 96633557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).