methyl 4-(2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate

C12H13NO4 — CID 134133640

IUPACmethyl 4-(2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate
SMILESCCC(=O)Cn1c(C(=O)OC)cc2occc21
InChIInChI=1S/C12H13NO4/c1-3-8(14)7-13-9-4-5-17-11(9)6-10(13)12(15)16-2/h4-6H,3,7H2,1-2H3
InChIKeyAVSKDWXOIDMUMY-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.00
Rot. Bonds4

About methyl 4-(2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate

methyl 4-(2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 134133640) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 4-(2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate
PubChem CID134133640
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Namemethyl 4-(2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate
SMILESCCC(=O)Cn1c(C(=O)OC)cc2occc21
InChIInChI=1S/C12H13NO4/c1-3-8(14)7-13-9-4-5-17-11(9)6-10(13)12(15)16-2/h4-6H,3,7H2,1-2H3
InChIKeyAVSKDWXOIDMUMY-UHFFFAOYSA-N
XLogP2.00
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(2-oxobutyl)furo[3,2-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 4-(2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-(2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate (CID 134133640) is methyl 4-(2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-(2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-(2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate is CCC(=O)Cn1c(C(=O)OC)cc2occc21.
What is the InChIKey of methyl 4-(2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is AVSKDWXOIDMUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-3-8(14)7-13-9-4-5-17-11(9)6-10(13)12(15)16-2/h4-6H,3,7H2,1-2H3.
What are the key properties of methyl 4-(2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate?
methyl 4-(2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-oxobutyl)furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 134133640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).