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

C14H11Cl2NO2 — CID 160864268

IUPACcyclohepta[f]indole-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1cnc2cc3cccccc3cc12
InChIInChI=1S/C14H9NO2.2ClH/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);2*1H
InChIKeyCIDPJERBLOUTLP-UHFFFAOYSA-N
MW296.15 g/mol
LogP3.93
Rot. Bonds1

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

cyclohepta[f]indole-3-carboxylic acid;dihydrochloride (PubChem CID 160864268) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is cyclohepta[f]indole-3-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Namecyclohepta[f]indole-3-carboxylic acid;dihydrochloride
PubChem CID160864268
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Namecyclohepta[f]indole-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1cnc2cc3cccccc3cc12
InChIInChI=1S/C14H9NO2.2ClH/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);2*1H
InChIKeyCIDPJERBLOUTLP-UHFFFAOYSA-N
XLogP3.93
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 53.93
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
Cyclohepta[f]indole-3-carboxylic acid
CID 118865250
Cyclohepta[f]indole-3-carboxylic acid;hydrochloride
CID 118865263
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
Cyclopenta[f]indole-7-carboxylic acid
CID 141366479

Frequently Asked Questions

What is the IUPAC name of cyclohepta[f]indole-3-carboxylic acid;dihydrochloride?
The IUPAC name of cyclohepta[f]indole-3-carboxylic acid;dihydrochloride (CID 160864268) is cyclohepta[f]indole-3-carboxylic acid;dihydrochloride.
What is the SMILES notation for cyclohepta[f]indole-3-carboxylic acid;dihydrochloride?
The canonical SMILES for cyclohepta[f]indole-3-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)c1cnc2cc3cccccc3cc12.
What is the InChIKey of cyclohepta[f]indole-3-carboxylic acid;dihydrochloride?
The InChIKey is CIDPJERBLOUTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2.2ClH/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);2*1H.
What are the key properties of cyclohepta[f]indole-3-carboxylic acid;dihydrochloride?
cyclohepta[f]indole-3-carboxylic acid;dihydrochloride has a molecular weight of 296.15 g/mol, XLogP of 3.93, 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;dihydrochloride is sourced from PubChem (CID 160864268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).