methyl 2-formyl-4H-furo[3,2-b]pyrrole-5-carboxylate

C9H7NO4 — CID 44726864

IUPACmethyl 2-formyl-4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(C=O)cc2[nH]1
InChIInChI=1S/C9H7NO4/c1-13-9(12)7-3-8-6(10-7)2-5(4-11)14-8/h2-4,10H,1H3
InChIKeyRDJJCRWCUARXEE-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.36
Rot. Bonds2

About methyl 2-formyl-4H-furo[3,2-b]pyrrole-5-carboxylate

methyl 2-formyl-4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 44726864) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is methyl 2-formyl-4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-formyl-4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID44726864
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Namemethyl 2-formyl-4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(C=O)cc2[nH]1
InChIInChI=1S/C9H7NO4/c1-13-9(12)7-3-8-6(10-7)2-5(4-11)14-8/h2-4,10H,1H3
InChIKeyRDJJCRWCUARXEE-UHFFFAOYSA-N
XLogP1.36
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-formyl-4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 2-formyl-4H-furo[3,2-b]pyrrole-5-carboxylate (CID 44726864) is methyl 2-formyl-4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 2-formyl-4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 2-formyl-4H-furo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2oc(C=O)cc2[nH]1.
What is the InChIKey of methyl 2-formyl-4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is RDJJCRWCUARXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c1-13-9(12)7-3-8-6(10-7)2-5(4-11)14-8/h2-4,10H,1H3.
What are the key properties of methyl 2-formyl-4H-furo[3,2-b]pyrrole-5-carboxylate?
methyl 2-formyl-4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 193.16 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-formyl-4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 44726864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).