cyclopenta[b]indole-3-carboxylic acid

C12H7NO2 — CID 87931561

IUPACcyclopenta[b]indole-3-carboxylic acid
SMILESO=C(O)C1=C2N=c3ccccc3=C2C=C1
InChIInChI=1S/C12H7NO2/c14-12(15)9-6-5-8-7-3-1-2-4-10(7)13-11(8)9/h1-6H,(H,14,15)
InChIKeyRHLPBHMQLFTIRT-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.38
Rot. Bonds1

About cyclopenta[b]indole-3-carboxylic acid

cyclopenta[b]indole-3-carboxylic acid (PubChem CID 87931561) has the molecular formula C12H7NO2 and a molecular weight of 197.19 g/mol. Its IUPAC name is cyclopenta[b]indole-3-carboxylic acid.

Molecular Properties

Compound Namecyclopenta[b]indole-3-carboxylic acid
PubChem CID87931561
Molecular FormulaC12H7NO2
Molecular Weight197.19 g/mol
Exact Mass197.05
IUPAC Namecyclopenta[b]indole-3-carboxylic acid
SMILESO=C(O)C1=C2N=c3ccccc3=C2C=C1
InChIInChI=1S/C12H7NO2/c14-12(15)9-6-5-8-7-3-1-2-4-10(7)13-11(8)9/h1-6H,(H,14,15)
InChIKeyRHLPBHMQLFTIRT-UHFFFAOYSA-N
XLogP0.38
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenta[b]indole-3-carboxylic acid?
The IUPAC name of cyclopenta[b]indole-3-carboxylic acid (CID 87931561) is cyclopenta[b]indole-3-carboxylic acid.
What is the SMILES notation for cyclopenta[b]indole-3-carboxylic acid?
The canonical SMILES for cyclopenta[b]indole-3-carboxylic acid is O=C(O)C1=C2N=c3ccccc3=C2C=C1.
What is the InChIKey of cyclopenta[b]indole-3-carboxylic acid?
The InChIKey is RHLPBHMQLFTIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2/c14-12(15)9-6-5-8-7-3-1-2-4-10(7)13-11(8)9/h1-6H,(H,14,15).
What are the key properties of cyclopenta[b]indole-3-carboxylic acid?
cyclopenta[b]indole-3-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[b]indole-3-carboxylic acid is sourced from PubChem (CID 87931561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).