5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid

C13H12N2O3 — CID 115007397

IUPAC5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2c1c1cccc(O)c1n2C
InChIInChI=1S/C13H12N2O3/c1-14-8-6-9(13(17)18)15(2)11(8)7-4-3-5-10(16)12(7)14/h3-6,16H,1-2H3,(H,17,18)
InChIKeyRFYYTZLGOVOUQB-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.07
Rot. Bonds1

About 5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid

5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid (PubChem CID 115007397) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid
PubChem CID115007397
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2c1c1cccc(O)c1n2C
InChIInChI=1S/C13H12N2O3/c1-14-8-6-9(13(17)18)15(2)11(8)7-4-3-5-10(16)12(7)14/h3-6,16H,1-2H3,(H,17,18)
InChIKeyRFYYTZLGOVOUQB-UHFFFAOYSA-N
XLogP2.07
TPSA67.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82244120
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CID 14294670
4-amino-1-methylindole-2-carboxylic acid
CID 84771435
7-ethyl-1-methylindole-2-carboxylic acid
CID 131582394
1-methyl-4-oxo-[1]benzothiolo[3,2-b]pyridine-2-carboxylic acid
CID 10825168
1-methyl-7-phenylindole-2-carboxylic acid
CID 171663138
5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025405
7-hydroxy-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid
CID 115007558
7-hydroxy-1-methyl-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid
CID 115007566
4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one
CID 115023405
3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985713
7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid?
The IUPAC name of 5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid (CID 115007397) is 5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid is Cn1c(C(=O)O)cc2c1c1cccc(O)c1n2C.
What is the InChIKey of 5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid?
The InChIKey is RFYYTZLGOVOUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-14-8-6-9(13(17)18)15(2)11(8)7-4-3-5-10(16)12(7)14/h3-6,16H,1-2H3,(H,17,18).
What are the key properties of 5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid?
5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid is sourced from PubChem (CID 115007397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).