pyrrolo[3,2-e]indole-1-carboxylic acid

C11H6N2O2 — CID 142651351

IUPACpyrrolo[3,2-e]indole-1-carboxylic acid
SMILESO=C(O)C1=CN=c2ccc3c(c21)C=CN=3
InChIInChI=1S/C11H6N2O2/c14-11(15)7-5-13-9-2-1-8-6(10(7)9)3-4-12-8/h1-5H,(H,14,15)
InChIKeyUVPCLIWDSRTRCS-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.35
Rot. Bonds1

About pyrrolo[3,2-e]indole-1-carboxylic acid

pyrrolo[3,2-e]indole-1-carboxylic acid (PubChem CID 142651351) has the molecular formula C11H6N2O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is pyrrolo[3,2-e]indole-1-carboxylic acid.

Molecular Properties

Compound Namepyrrolo[3,2-e]indole-1-carboxylic acid
PubChem CID142651351
Molecular FormulaC11H6N2O2
Molecular Weight198.18 g/mol
Exact Mass198.04
IUPAC Namepyrrolo[3,2-e]indole-1-carboxylic acid
SMILESO=C(O)C1=CN=c2ccc3c(c21)C=CN=3
InChIInChI=1S/C11H6N2O2/c14-11(15)7-5-13-9-2-1-8-6(10(7)9)3-4-12-8/h1-5H,(H,14,15)
InChIKeyUVPCLIWDSRTRCS-UHFFFAOYSA-N
XLogP0.35
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,2-e]indole-1-carboxylic acid?
The IUPAC name of pyrrolo[3,2-e]indole-1-carboxylic acid (CID 142651351) is pyrrolo[3,2-e]indole-1-carboxylic acid.
What is the SMILES notation for pyrrolo[3,2-e]indole-1-carboxylic acid?
The canonical SMILES for pyrrolo[3,2-e]indole-1-carboxylic acid is O=C(O)C1=CN=c2ccc3c(c21)C=CN=3.
What is the InChIKey of pyrrolo[3,2-e]indole-1-carboxylic acid?
The InChIKey is UVPCLIWDSRTRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O2/c14-11(15)7-5-13-9-2-1-8-6(10(7)9)3-4-12-8/h1-5H,(H,14,15).
What are the key properties of pyrrolo[3,2-e]indole-1-carboxylic acid?
pyrrolo[3,2-e]indole-1-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,2-e]indole-1-carboxylic acid is sourced from PubChem (CID 142651351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).