methyl 2-formyl-6-(methoxymethyl)furo[2,3-b]pyrrole-5-carboxylate

C11H11NO5 — CID 44726865

IUPACmethyl 2-formyl-6-(methoxymethyl)furo[2,3-b]pyrrole-5-carboxylate
SMILESCOCn1c(C(=O)OC)cc2cc(C=O)oc21
InChIInChI=1S/C11H11NO5/c1-15-6-12-9(11(14)16-2)4-7-3-8(5-13)17-10(7)12/h3-5H,6H2,1-2H3
InChIKeyKUADEBZVYCRWAN-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.44
Rot. Bonds4

About methyl 2-formyl-6-(methoxymethyl)furo[2,3-b]pyrrole-5-carboxylate

methyl 2-formyl-6-(methoxymethyl)furo[2,3-b]pyrrole-5-carboxylate (PubChem CID 44726865) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is methyl 2-formyl-6-(methoxymethyl)furo[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-formyl-6-(methoxymethyl)furo[2,3-b]pyrrole-5-carboxylate
PubChem CID44726865
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Namemethyl 2-formyl-6-(methoxymethyl)furo[2,3-b]pyrrole-5-carboxylate
SMILESCOCn1c(C(=O)OC)cc2cc(C=O)oc21
InChIInChI=1S/C11H11NO5/c1-15-6-12-9(11(14)16-2)4-7-3-8(5-13)17-10(7)12/h3-5H,6H2,1-2H3
InChIKeyKUADEBZVYCRWAN-UHFFFAOYSA-N
XLogP1.44
TPSA70.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-formyl-6-(methoxymethyl)furo[2,3-b]pyrrole-5-carboxylate 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 methyl 2-formyl-6-(methoxymethyl)furo[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 2-formyl-6-(methoxymethyl)furo[2,3-b]pyrrole-5-carboxylate (CID 44726865) is methyl 2-formyl-6-(methoxymethyl)furo[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 2-formyl-6-(methoxymethyl)furo[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 2-formyl-6-(methoxymethyl)furo[2,3-b]pyrrole-5-carboxylate is COCn1c(C(=O)OC)cc2cc(C=O)oc21.
What is the InChIKey of methyl 2-formyl-6-(methoxymethyl)furo[2,3-b]pyrrole-5-carboxylate?
The InChIKey is KUADEBZVYCRWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-15-6-12-9(11(14)16-2)4-7-3-8(5-13)17-10(7)12/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-formyl-6-(methoxymethyl)furo[2,3-b]pyrrole-5-carboxylate?
methyl 2-formyl-6-(methoxymethyl)furo[2,3-b]pyrrole-5-carboxylate has a molecular weight of 237.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-formyl-6-(methoxymethyl)furo[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 44726865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).