cyclopenta[f]indole-3-carboxylic acid

C12H7NO2 — CID 158476587

IUPACcyclopenta[f]indole-3-carboxylic acid
SMILESO=C(O)C1=CN=c2cc3c(cc21)=CC=C3
InChIInChI=1S/C12H7NO2/c14-12(15)10-6-13-11-5-8-3-1-2-7(8)4-9(10)11/h1-6H,(H,14,15)
InChIKeyHGZZVKOBZWVFNB-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.55
Rot. Bonds1

About cyclopenta[f]indole-3-carboxylic acid

cyclopenta[f]indole-3-carboxylic acid (PubChem CID 158476587) has the molecular formula C12H7NO2 and a molecular weight of 197.19 g/mol. Its IUPAC name is cyclopenta[f]indole-3-carboxylic acid.

Molecular Properties

Compound Namecyclopenta[f]indole-3-carboxylic acid
PubChem CID158476587
Molecular FormulaC12H7NO2
Molecular Weight197.19 g/mol
Exact Mass197.05
IUPAC Namecyclopenta[f]indole-3-carboxylic acid
SMILESO=C(O)C1=CN=c2cc3c(cc21)=CC=C3
InChIInChI=1S/C12H7NO2/c14-12(15)10-6-13-11-5-8-3-1-2-7(8)4-9(10)11/h1-6H,(H,14,15)
InChIKeyHGZZVKOBZWVFNB-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenta[f]indole-3-carboxylic acid?
The IUPAC name of cyclopenta[f]indole-3-carboxylic acid (CID 158476587) is cyclopenta[f]indole-3-carboxylic acid.
What is the SMILES notation for cyclopenta[f]indole-3-carboxylic acid?
The canonical SMILES for cyclopenta[f]indole-3-carboxylic acid is O=C(O)C1=CN=c2cc3c(cc21)=CC=C3.
What is the InChIKey of cyclopenta[f]indole-3-carboxylic acid?
The InChIKey is HGZZVKOBZWVFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2/c14-12(15)10-6-13-11-5-8-3-1-2-7(8)4-9(10)11/h1-6H,(H,14,15).
What are the key properties of cyclopenta[f]indole-3-carboxylic acid?
cyclopenta[f]indole-3-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[f]indole-3-carboxylic acid is sourced from PubChem (CID 158476587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).