2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid

C14H11NO3 — CID 82387630

IUPAC2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid
SMILESCc1cccc2cc(-c3occc3C(=O)O)[nH]c12
InChIInChI=1S/C14H11NO3/c1-8-3-2-4-9-7-11(15-12(8)9)13-10(14(16)17)5-6-18-13/h2-7,15H,1H3,(H,16,17)
InChIKeySPFAPRHLRPUSIZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.43
Rot. Bonds2

About 2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid

2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid (PubChem CID 82387630) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid
PubChem CID82387630
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid
SMILESCc1cccc2cc(-c3occc3C(=O)O)[nH]c12
InChIInChI=1S/C14H11NO3/c1-8-3-2-4-9-7-11(15-12(8)9)13-10(14(16)17)5-6-18-13/h2-7,15H,1H3,(H,16,17)
InChIKeySPFAPRHLRPUSIZ-UHFFFAOYSA-N
XLogP3.43
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid
CID 82386613
2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid
CID 115113789
1-methyl-5-(7-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid
CID 136985722
(7-methyl-1H-indol-2-yl)-phenylmethanone
CID 13184984
2-(3-methylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 63030741
2-(4-bromophenyl)-7-methyl-1H-indole
CID 86031866
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylfuran-2-carboxamide
CID 1382192
2-[10,15,20-tris(3-carboxyfuran-2-yl)-21,23-dihydroporphyrin-5-yl]furan-3-carboxylic acid
CID 135697201
2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzamide
CID 17096505
4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid
CID 82667478
(7-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 110849285
trimethyl-(7-methyl-1H-indol-2-yl)silane
CID 15121722

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid?
The IUPAC name of 2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid (CID 82387630) is 2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid?
The canonical SMILES for 2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid is Cc1cccc2cc(-c3occc3C(=O)O)[nH]c12.
What is the InChIKey of 2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid?
The InChIKey is SPFAPRHLRPUSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-8-3-2-4-9-7-11(15-12(8)9)13-10(14(16)17)5-6-18-13/h2-7,15H,1H3,(H,16,17).
What are the key properties of 2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid?
2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid is sourced from PubChem (CID 82387630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).