cyclopentanecarboxylic acid;indigane

C6H13InO2 — CID 173230713

IUPACcyclopentanecarboxylic acid;indigane
SMILESO=C(O)C1CCCC1.[InH3]
InChIInChI=1S/C6H10O2.In.3H/c7-6(8)5-3-1-2-4-5;;;;/h5H,1-4H2,(H,7,8);;;;
InChIKeyQGRNGVGBZKFDCZ-UHFFFAOYSA-N
MW231.99 g/mol
LogP0.08
Rot. Bonds1

About cyclopentanecarboxylic acid;indigane

cyclopentanecarboxylic acid;indigane (PubChem CID 173230713) has the molecular formula C6H13InO2 and a molecular weight of 231.99 g/mol. Its IUPAC name is cyclopentanecarboxylic acid;indigane.

Molecular Properties

Compound Namecyclopentanecarboxylic acid;indigane
PubChem CID173230713
Molecular FormulaC6H13InO2
Molecular Weight231.99 g/mol
Exact Mass232.00
IUPAC Namecyclopentanecarboxylic acid;indigane
SMILESO=C(O)C1CCCC1.[InH3]
InChIInChI=1S/C6H10O2.In.3H/c7-6(8)5-3-1-2-4-5;;;;/h5H,1-4H2,(H,7,8);;;;
InChIKeyQGRNGVGBZKFDCZ-UHFFFAOYSA-N
XLogP0.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.99
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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cyclopentanecarboxylic acid
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cyclooctadecane-1,7,13-tricarboxylic acid
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cyclohexanecarboxylic acid
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cyclohexanecarboxylic acid;octahydrate
CID 175413747
CID 53471629
CID 53471629
lithium;cyclooctanecarboxylic acid;hydride
CID 173424430
cyclobutanecarboxylic acid;hydrofluoride
CID 161438543
chloromethane;cyclohexanecarboxylic acid
CID 160928112
cyclohexanecarboxylic acid;diiminoazanium
CID 174800103

Frequently Asked Questions

What is the IUPAC name of cyclopentanecarboxylic acid;indigane?
The IUPAC name of cyclopentanecarboxylic acid;indigane (CID 173230713) is cyclopentanecarboxylic acid;indigane.
What is the SMILES notation for cyclopentanecarboxylic acid;indigane?
The canonical SMILES for cyclopentanecarboxylic acid;indigane is O=C(O)C1CCCC1.[InH3].
What is the InChIKey of cyclopentanecarboxylic acid;indigane?
The InChIKey is QGRNGVGBZKFDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.In.3H/c7-6(8)5-3-1-2-4-5;;;;/h5H,1-4H2,(H,7,8);;;;.
What are the key properties of cyclopentanecarboxylic acid;indigane?
cyclopentanecarboxylic acid;indigane has a molecular weight of 231.99 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanecarboxylic acid;indigane is sourced from PubChem (CID 173230713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).