8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid

C12H9NO3 — CID 82393897

IUPAC8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid
SMILESCc1cccc2[nH]c3cc(C(=O)O)oc3c12
InChIInChI=1S/C12H9NO3/c1-6-3-2-4-7-10(6)11-8(13-7)5-9(16-11)12(14)15/h2-5,13H,1H3,(H,14,15)
InChIKeyZKMIELGXGYNQIE-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.92
Rot. Bonds1

About 8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid

8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid (PubChem CID 82393897) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid
PubChem CID82393897
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid
SMILESCc1cccc2[nH]c3cc(C(=O)O)oc3c12
InChIInChI=1S/C12H9NO3/c1-6-3-2-4-7-10(6)11-8(13-7)5-9(16-11)12(14)15/h2-5,13H,1H3,(H,14,15)
InChIKeyZKMIELGXGYNQIE-UHFFFAOYSA-N
XLogP2.92
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Benzylfuro[3,2-b]indol-2-yl)methanol
CID 72206023
8-Iodo-10H-benzo[4,5]furo[3,2-b]indole-1-carboxylic acid
CID 9842661
8-nitro-10H-[1]benzofuro[3,2-b]indole-1-carboxylic acid
CID 9905620
3,7-Dimethoxy-4-phenyl-4H-furo[3,2-b]indole-2-carboxylic acid
CID 13220391
3-Methoxy-4-phenyl-4H-furo[3,2-b]indole-2-carboxylic acid
CID 13220394
3-Ethoxy-4-phenyl-4H-furo[3,2-b]indole-2-carboxylic acid
CID 13220395
4-Phenyl-3-[(propan-2-yl)oxy]-4H-furo[3,2-b]indole-2-carboxylic acid
CID 13435432
(4-Methylfuro[3,2-b]indol-2-yl)methanol
CID 72205833
(4-Ethylfuro[3,2-b]indol-2-yl)methanol
CID 72205834
10H-[1]benzofuro[3,2-b]indole-1-carboxylic acid
CID 9881443
4H-Furo[3,2-b]indole-2-carboxylic acid
CID 12377251
4H-furo[3,2-b]indole-2-carboxylic acid methyl ester
CID 12521830

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid?
The IUPAC name of 8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid (CID 82393897) is 8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid.
What is the SMILES notation for 8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid?
The canonical SMILES for 8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid is Cc1cccc2[nH]c3cc(C(=O)O)oc3c12.
What is the InChIKey of 8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid?
The InChIKey is ZKMIELGXGYNQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c1-6-3-2-4-7-10(6)11-8(13-7)5-9(16-11)12(14)15/h2-5,13H,1H3,(H,14,15).
What are the key properties of 8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid?
8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4H-furo[3,2-b]indole-2-carboxylic acid is sourced from PubChem (CID 82393897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).