cyclohepta[f]indole-3-carboxylic acid;hydrochloride

C14H10ClNO2 — CID 118865263

IUPACcyclohepta[f]indole-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2cc3cccccc3cc12
InChIInChI=1S/C14H9NO2.ClH/c16-14(17)12-8-15-13-7-10-5-3-1-2-4-9(10)6-11(12)13;/h1-8H,(H,16,17);1H
InChIKeyJXYPFOQQDWNPDV-UHFFFAOYSA-N
MW259.69 g/mol
LogP3.51
Rot. Bonds1

About cyclohepta[f]indole-3-carboxylic acid;hydrochloride

cyclohepta[f]indole-3-carboxylic acid;hydrochloride (PubChem CID 118865263) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is cyclohepta[f]indole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namecyclohepta[f]indole-3-carboxylic acid;hydrochloride
PubChem CID118865263
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Namecyclohepta[f]indole-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2cc3cccccc3cc12
InChIInChI=1S/C14H9NO2.ClH/c16-14(17)12-8-15-13-7-10-5-3-1-2-4-9(10)6-11(12)13;/h1-8H,(H,16,17);1H
InChIKeyJXYPFOQQDWNPDV-UHFFFAOYSA-N
XLogP3.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohepta[f]indole-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 172743610
Pyrroloanthrone-1-carboxylic acid
CID 129785130
Cyclopenta[b]pyrrole-3-carboxylic acid
CID 69870816
7H-indole-3-carboxylic acid
CID 69927599
7H-indeno[2,1-c]pyridine-4-carboxylic acid
CID 87879625
Spiro[1-benzazepine-4,3'-cyclopentene]-3-carboxylic acid
CID 91111325
Cyclohepta[f]indole-3-carboxylic acid
CID 118865250
6-Oxoisoindole-1-carboxylic acid
CID 141169058
4H-cyclopenta[b]pyridine-3-carboxylic acid;hydrochloride
CID 141286935
4H-cyclopenta[b]pyridine-3-carboxylic acid
CID 141286936
Methyl cyclohepta[f]indole-3-carboxylate
CID 141366427
4H-cyclohepta[b]pyridine-3-carboxylic acid
CID 141366439

Frequently Asked Questions

What is the IUPAC name of cyclohepta[f]indole-3-carboxylic acid;hydrochloride?
The IUPAC name of cyclohepta[f]indole-3-carboxylic acid;hydrochloride (CID 118865263) is cyclohepta[f]indole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for cyclohepta[f]indole-3-carboxylic acid;hydrochloride?
The canonical SMILES for cyclohepta[f]indole-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnc2cc3cccccc3cc12.
What is the InChIKey of cyclohepta[f]indole-3-carboxylic acid;hydrochloride?
The InChIKey is JXYPFOQQDWNPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2.ClH/c16-14(17)12-8-15-13-7-10-5-3-1-2-4-9(10)6-11(12)13;/h1-8H,(H,16,17);1H.
What are the key properties of cyclohepta[f]indole-3-carboxylic acid;hydrochloride?
cyclohepta[f]indole-3-carboxylic acid;hydrochloride has a molecular weight of 259.69 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[f]indole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 118865263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).