cycloheptanecarboxylic acid;indigane

C8H17InO2 — CID 173230239

IUPACcycloheptanecarboxylic acid;indigane
SMILESO=C(O)C1CCCCCC1.[InH3]
InChIInChI=1S/C8H14O2.In.3H/c9-8(10)7-5-3-1-2-4-6-7;;;;/h7H,1-6H2,(H,9,10);;;;
InChIKeyFQBOTQRTJVTBSP-UHFFFAOYSA-N
MW260.04 g/mol
LogP0.86
Rot. Bonds1

About cycloheptanecarboxylic acid;indigane

cycloheptanecarboxylic acid;indigane (PubChem CID 173230239) has the molecular formula C8H17InO2 and a molecular weight of 260.04 g/mol. Its IUPAC name is cycloheptanecarboxylic acid;indigane.

Molecular Properties

Compound Namecycloheptanecarboxylic acid;indigane
PubChem CID173230239
Molecular FormulaC8H17InO2
Molecular Weight260.04 g/mol
Exact Mass260.03
IUPAC Namecycloheptanecarboxylic acid;indigane
SMILESO=C(O)C1CCCCCC1.[InH3]
InChIInChI=1S/C8H14O2.In.3H/c9-8(10)7-5-3-1-2-4-6-7;;;;/h7H,1-6H2,(H,9,10);;;;
InChIKeyFQBOTQRTJVTBSP-UHFFFAOYSA-N
XLogP0.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentanecarboxylic acid;indigane
CID 173230713
cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469
cyclohexanecarboxylic acid;octahydrate
CID 175413747
cyclohexanecarboxylic acid;trihydrochloride
CID 67185988
CID 53471629
CID 53471629
cyclopentanecarboxylic acid
CID 18840
lithium;cyclooctanecarboxylic acid;hydride
CID 173424430
chloromethane;cyclohexanecarboxylic acid
CID 160928112
cyclohexanecarboxylic acid;diiminoazanium
CID 174800103
cyclobutanecarboxylic acid;hydrofluoride
CID 161438543

Frequently Asked Questions

What is the IUPAC name of cycloheptanecarboxylic acid;indigane?
The IUPAC name of cycloheptanecarboxylic acid;indigane (CID 173230239) is cycloheptanecarboxylic acid;indigane.
What is the SMILES notation for cycloheptanecarboxylic acid;indigane?
The canonical SMILES for cycloheptanecarboxylic acid;indigane is O=C(O)C1CCCCCC1.[InH3].
What is the InChIKey of cycloheptanecarboxylic acid;indigane?
The InChIKey is FQBOTQRTJVTBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.In.3H/c9-8(10)7-5-3-1-2-4-6-7;;;;/h7H,1-6H2,(H,9,10);;;;.
What are the key properties of cycloheptanecarboxylic acid;indigane?
cycloheptanecarboxylic acid;indigane has a molecular weight of 260.04 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptanecarboxylic acid;indigane is sourced from PubChem (CID 173230239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).