cyclopenta[f]indole-7-carboxylic acid;hydrochloride

C12H8ClNO2 — CID 141366478

IUPACcyclopenta[f]indole-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=c2cc3c(cc2C=C1)=CC=N3
InChIInChI=1S/C12H7NO2.ClH/c14-12(15)9-2-1-7-5-8-3-4-13-11(8)6-10(7)9;/h1-6H,(H,14,15);1H
InChIKeyBJFLOGQUVSSYJG-UHFFFAOYSA-N
MW233.65 g/mol
LogP0.87
Rot. Bonds1

About cyclopenta[f]indole-7-carboxylic acid;hydrochloride

cyclopenta[f]indole-7-carboxylic acid;hydrochloride (PubChem CID 141366478) has the molecular formula C12H8ClNO2 and a molecular weight of 233.65 g/mol. Its IUPAC name is cyclopenta[f]indole-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namecyclopenta[f]indole-7-carboxylic acid;hydrochloride
PubChem CID141366478
Molecular FormulaC12H8ClNO2
Molecular Weight233.65 g/mol
Exact Mass233.02
IUPAC Namecyclopenta[f]indole-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=c2cc3c(cc2C=C1)=CC=N3
InChIInChI=1S/C12H7NO2.ClH/c14-12(15)9-2-1-7-5-8-3-4-13-11(8)6-10(7)9;/h1-6H,(H,14,15);1H
InChIKeyBJFLOGQUVSSYJG-UHFFFAOYSA-N
XLogP0.87
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenta[f]indole-7-carboxylic acid;hydrochloride?
The IUPAC name of cyclopenta[f]indole-7-carboxylic acid;hydrochloride (CID 141366478) is cyclopenta[f]indole-7-carboxylic acid;hydrochloride.
What is the SMILES notation for cyclopenta[f]indole-7-carboxylic acid;hydrochloride?
The canonical SMILES for cyclopenta[f]indole-7-carboxylic acid;hydrochloride is Cl.O=C(O)C1=c2cc3c(cc2C=C1)=CC=N3.
What is the InChIKey of cyclopenta[f]indole-7-carboxylic acid;hydrochloride?
The InChIKey is BJFLOGQUVSSYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2.ClH/c14-12(15)9-2-1-7-5-8-3-4-13-11(8)6-10(7)9;/h1-6H,(H,14,15);1H.
What are the key properties of cyclopenta[f]indole-7-carboxylic acid;hydrochloride?
cyclopenta[f]indole-7-carboxylic acid;hydrochloride has a molecular weight of 233.65 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[f]indole-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 141366478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).