2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid

C10H9NO3 — CID 96624791

IUPAC2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid
SMILESCc1ccoc1-c1[nH]ccc1C(=O)O
InChIInChI=1S/C10H9NO3/c1-6-3-5-14-9(6)8-7(10(12)13)2-4-11-8/h2-5,11H,1H3,(H,12,13)
InChIKeyQYRQZTPOWVYVMY-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.28
Rot. Bonds2

About 2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid

2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid (PubChem CID 96624791) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid
PubChem CID96624791
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid
SMILESCc1ccoc1-c1[nH]ccc1C(=O)O
InChIInChI=1S/C10H9NO3/c1-6-3-5-14-9(6)8-7(10(12)13)2-4-11-8/h2-5,11H,1H3,(H,12,13)
InChIKeyQYRQZTPOWVYVMY-UHFFFAOYSA-N
XLogP2.28
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorofuran-2-yl)-1H-pyrrole-3-carboxylic acid
CID 96613437
2-(3-methylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 63030741
4-[5-(3-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 63382464
2-(5-formyl-1H-imidazol-4-yl)furan-3-carboxylic acid
CID 143555638
2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid
CID 96619111
2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid
CID 82381368
6-methyl-2-(3-methylfuran-2-yl)pyrimidine-4-carboxylic acid
CID 104807222
3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid
CID 82400523
2,3-dimethylterephthalic acid
CID 158313107
2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid
CID 82387630
2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid
CID 82392303
2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid
CID 82388017

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid (CID 96624791) is 2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid is Cc1ccoc1-c1[nH]ccc1C(=O)O.
What is the InChIKey of 2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is QYRQZTPOWVYVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-6-3-5-14-9(6)8-7(10(12)13)2-4-11-8/h2-5,11H,1H3,(H,12,13).
What are the key properties of 2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid?
2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylfuran-2-yl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 96624791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).