6-amino-1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylic acid

C15H11N3O2 — CID 70691251

IUPAC6-amino-1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylic acid
SMILESNc1cccc2[nH]c3c(cc(C(=O)O)c4cc[nH]c43)c12
InChIInChI=1S/C15H11N3O2/c16-10-2-1-3-11-12(10)9-6-8(15(19)20)7-4-5-17-13(7)14(9)18-11/h1-6,17-18H,16H2,(H,19,20)
InChIKeyYGILXASZKKBFQZ-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.08
Rot. Bonds1

About 6-amino-1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylic acid

6-amino-1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylic acid (PubChem CID 70691251) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 6-amino-1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylic acid
PubChem CID70691251
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name6-amino-1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylic acid
SMILESNc1cccc2[nH]c3c(cc(C(=O)O)c4cc[nH]c43)c12
InChIInChI=1S/C15H11N3O2/c16-10-2-1-3-11-12(10)9-6-8(15(19)20)7-4-5-17-13(7)14(9)18-11/h1-6,17-18H,16H2,(H,19,20)
InChIKeyYGILXASZKKBFQZ-UHFFFAOYSA-N
XLogP3.08
TPSA94.90 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylic acid?
The IUPAC name of 6-amino-1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylic acid (CID 70691251) is 6-amino-1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylic acid.
What is the SMILES notation for 6-amino-1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylic acid?
The canonical SMILES for 6-amino-1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylic acid is Nc1cccc2[nH]c3c(cc(C(=O)O)c4cc[nH]c43)c12.
What is the InChIKey of 6-amino-1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylic acid?
The InChIKey is YGILXASZKKBFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c16-10-2-1-3-11-12(10)9-6-8(15(19)20)7-4-5-17-13(7)14(9)18-11/h1-6,17-18H,16H2,(H,19,20).
What are the key properties of 6-amino-1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylic acid?
6-amino-1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 3.08, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylic acid is sourced from PubChem (CID 70691251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).