2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde

C14H11NO3 — CID 135071312

IUPAC2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde
SMILESCOc1ccccc1-c1cc2[nH]c(C=O)cc2o1
InChIInChI=1S/C14H11NO3/c1-17-12-5-3-2-4-10(12)13-7-11-14(18-13)6-9(8-16)15-11/h2-8,15H,1H3
InChIKeyOYCCKERRJBRRBK-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.25
Rot. Bonds3

About 2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde

2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde (PubChem CID 135071312) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde
PubChem CID135071312
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde
SMILESCOc1ccccc1-c1cc2[nH]c(C=O)cc2o1
InChIInChI=1S/C14H11NO3/c1-17-12-5-3-2-4-10(12)13-7-11-14(18-13)6-9(8-16)15-11/h2-8,15H,1H3
InChIKeyOYCCKERRJBRRBK-UHFFFAOYSA-N
XLogP3.25
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde?
The IUPAC name of 2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde (CID 135071312) is 2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde.
What is the SMILES notation for 2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde?
The canonical SMILES for 2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde is COc1ccccc1-c1cc2[nH]c(C=O)cc2o1.
What is the InChIKey of 2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde?
The InChIKey is OYCCKERRJBRRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-17-12-5-3-2-4-10(12)13-7-11-14(18-13)6-9(8-16)15-11/h2-8,15H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde?
2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde has a molecular weight of 241.25 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carbaldehyde is sourced from PubChem (CID 135071312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).