2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid

C8H7NO3 — CID 7141883

IUPAC2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1cc2[nH]c(C(=O)O)cc2o1
InChIInChI=1S/C8H7NO3/c1-4-2-5-7(12-4)3-6(9-5)8(10)11/h2-3,9H,1H3,(H,10,11)
InChIKeyILLLWINWDFYWES-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.77
Rot. Bonds1

About 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid

2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 7141883) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
PubChem CID7141883
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1cc2[nH]c(C(=O)O)cc2o1
InChIInChI=1S/C8H7NO3/c1-4-2-5-7(12-4)3-6(9-5)8(10)11/h2-3,9H,1H3,(H,10,11)
InChIKeyILLLWINWDFYWES-UHFFFAOYSA-N
XLogP1.77
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4H-Furo(3,2-b)pyrrole-5-carboxylic acid
CID 7141881
methyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 5082263
3-(2-phenylethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 44623061
2-Phenyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 343030
2-chloro-4H-furo(3,2-b)pyrrole-5-carboxylic acid
CID 22556501
4-Cyclohexyloxycarbonylmethyl-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 652843
3-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 16225169
2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 15933663
3-Hydroxymethyl-4h-furo[3,2-b]pyrrole-5-carboxylic acid
CID 44576687
methyl 4-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 6623303
methyl 2-formyl-4H-furo(3,2-b)pyrrole-5-carboxylate
CID 44726864
4-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 7164641

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid (CID 7141883) is 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid is Cc1cc2[nH]c(C(=O)O)cc2o1.
What is the InChIKey of 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is ILLLWINWDFYWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c1-4-2-5-7(12-4)3-6(9-5)8(10)11/h2-3,9H,1H3,(H,10,11).
What are the key properties of 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 165.15 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 7141883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).