3,4-dimethylpyrrolo[2,3-b]carbazole-2-carboxylic acid

C17H12N2O2 — CID 19077459

IUPAC3,4-dimethylpyrrolo[2,3-b]carbazole-2-carboxylic acid
SMILESCC1=c2c(cc3c(c2C)-c2ccccc2N=3)N=C1C(=O)O
InChIInChI=1S/C17H12N2O2/c1-8-14-9(2)16(17(20)21)19-12(14)7-13-15(8)10-5-3-4-6-11(10)18-13/h3-7H,1-2H3,(H,20,21)
InChIKeyLBYXOIPKQUTWAC-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.27
Rot. Bonds1

About 3,4-dimethylpyrrolo[2,3-b]carbazole-2-carboxylic acid

3,4-dimethylpyrrolo[2,3-b]carbazole-2-carboxylic acid (PubChem CID 19077459) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3,4-dimethylpyrrolo[2,3-b]carbazole-2-carboxylic acid.

Molecular Properties

Compound Name3,4-dimethylpyrrolo[2,3-b]carbazole-2-carboxylic acid
PubChem CID19077459
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name3,4-dimethylpyrrolo[2,3-b]carbazole-2-carboxylic acid
SMILESCC1=c2c(cc3c(c2C)-c2ccccc2N=3)N=C1C(=O)O
InChIInChI=1S/C17H12N2O2/c1-8-14-9(2)16(17(20)21)19-12(14)7-13-15(8)10-5-3-4-6-11(10)18-13/h3-7H,1-2H3,(H,20,21)
InChIKeyLBYXOIPKQUTWAC-UHFFFAOYSA-N
XLogP2.27
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpyrrolo[2,3-b]carbazole-2-carboxylic acid?
The IUPAC name of 3,4-dimethylpyrrolo[2,3-b]carbazole-2-carboxylic acid (CID 19077459) is 3,4-dimethylpyrrolo[2,3-b]carbazole-2-carboxylic acid.
What is the SMILES notation for 3,4-dimethylpyrrolo[2,3-b]carbazole-2-carboxylic acid?
The canonical SMILES for 3,4-dimethylpyrrolo[2,3-b]carbazole-2-carboxylic acid is CC1=c2c(cc3c(c2C)-c2ccccc2N=3)N=C1C(=O)O.
What is the InChIKey of 3,4-dimethylpyrrolo[2,3-b]carbazole-2-carboxylic acid?
The InChIKey is LBYXOIPKQUTWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-8-14-9(2)16(17(20)21)19-12(14)7-13-15(8)10-5-3-4-6-11(10)18-13/h3-7H,1-2H3,(H,20,21).
What are the key properties of 3,4-dimethylpyrrolo[2,3-b]carbazole-2-carboxylic acid?
3,4-dimethylpyrrolo[2,3-b]carbazole-2-carboxylic acid has a molecular weight of 276.30 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpyrrolo[2,3-b]carbazole-2-carboxylic acid is sourced from PubChem (CID 19077459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).