8-amino-7-methyl-5,6-dihydro-1H-pyrrolo[3,2-f]indole-2-carboxylic acid

C12H13N3O2 — CID 96599843

IUPAC8-amino-7-methyl-5,6-dihydro-1H-pyrrolo[3,2-f]indole-2-carboxylic acid
SMILESCN1CCc2cc3cc(C(=O)O)[nH]c3c(N)c21
InChIInChI=1S/C12H13N3O2/c1-15-3-2-6-4-7-5-8(12(16)17)14-10(7)9(13)11(6)15/h4-5,14H,2-3,13H2,1H3,(H,16,17)
InChIKeyGHHWPIWDPCRTRI-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.44
Rot. Bonds1

About 8-amino-7-methyl-5,6-dihydro-1H-pyrrolo[3,2-f]indole-2-carboxylic acid

8-amino-7-methyl-5,6-dihydro-1H-pyrrolo[3,2-f]indole-2-carboxylic acid (PubChem CID 96599843) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 8-amino-7-methyl-5,6-dihydro-1H-pyrrolo[3,2-f]indole-2-carboxylic acid.

Molecular Properties

Compound Name8-amino-7-methyl-5,6-dihydro-1H-pyrrolo[3,2-f]indole-2-carboxylic acid
PubChem CID96599843
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name8-amino-7-methyl-5,6-dihydro-1H-pyrrolo[3,2-f]indole-2-carboxylic acid
SMILESCN1CCc2cc3cc(C(=O)O)[nH]c3c(N)c21
InChIInChI=1S/C12H13N3O2/c1-15-3-2-6-4-7-5-8(12(16)17)14-10(7)9(13)11(6)15/h4-5,14H,2-3,13H2,1H3,(H,16,17)
InChIKeyGHHWPIWDPCRTRI-UHFFFAOYSA-N
XLogP1.44
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-7-methyl-5,6-dihydro-1H-pyrrolo[3,2-f]indole-2-carboxylic acid?
The IUPAC name of 8-amino-7-methyl-5,6-dihydro-1H-pyrrolo[3,2-f]indole-2-carboxylic acid (CID 96599843) is 8-amino-7-methyl-5,6-dihydro-1H-pyrrolo[3,2-f]indole-2-carboxylic acid.
What is the SMILES notation for 8-amino-7-methyl-5,6-dihydro-1H-pyrrolo[3,2-f]indole-2-carboxylic acid?
The canonical SMILES for 8-amino-7-methyl-5,6-dihydro-1H-pyrrolo[3,2-f]indole-2-carboxylic acid is CN1CCc2cc3cc(C(=O)O)[nH]c3c(N)c21.
What is the InChIKey of 8-amino-7-methyl-5,6-dihydro-1H-pyrrolo[3,2-f]indole-2-carboxylic acid?
The InChIKey is GHHWPIWDPCRTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-3-2-6-4-7-5-8(12(16)17)14-10(7)9(13)11(6)15/h4-5,14H,2-3,13H2,1H3,(H,16,17).
What are the key properties of 8-amino-7-methyl-5,6-dihydro-1H-pyrrolo[3,2-f]indole-2-carboxylic acid?
8-amino-7-methyl-5,6-dihydro-1H-pyrrolo[3,2-f]indole-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-methyl-5,6-dihydro-1H-pyrrolo[3,2-f]indole-2-carboxylic acid is sourced from PubChem (CID 96599843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).