2-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxylic acid;dihydrochloride

C13H25Cl2NO2 — CID 142750509

IUPAC2-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)C1CCCCC1CCN1CCCC1
InChIInChI=1S/C13H23NO2.2ClH/c15-13(16)12-6-2-1-5-11(12)7-10-14-8-3-4-9-14;;/h11-12H,1-10H2,(H,15,16);2*1H
InChIKeyQKYLTAZCXOSGFJ-UHFFFAOYSA-N
MW298.25 g/mol
LogP3.21
Rot. Bonds4

About 2-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxylic acid;dihydrochloride

2-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxylic acid;dihydrochloride (PubChem CID 142750509) has the molecular formula C13H25Cl2NO2 and a molecular weight of 298.25 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxylic acid;dihydrochloride
PubChem CID142750509
Molecular FormulaC13H25Cl2NO2
Molecular Weight298.25 g/mol
Exact Mass297.13
IUPAC Name2-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)C1CCCCC1CCN1CCCC1
InChIInChI=1S/C13H23NO2.2ClH/c15-13(16)12-6-2-1-5-11(12)7-10-14-8-3-4-9-14;;/h11-12H,1-10H2,(H,15,16);2*1H
InChIKeyQKYLTAZCXOSGFJ-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxylic acid;dihydrochloride?
The IUPAC name of 2-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxylic acid;dihydrochloride (CID 142750509) is 2-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxylic acid;dihydrochloride.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxylic acid;dihydrochloride?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)C1CCCCC1CCN1CCCC1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxylic acid;dihydrochloride?
The InChIKey is QKYLTAZCXOSGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2.2ClH/c15-13(16)12-6-2-1-5-11(12)7-10-14-8-3-4-9-14;;/h11-12H,1-10H2,(H,15,16);2*1H.
What are the key properties of 2-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxylic acid;dihydrochloride?
2-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxylic acid;dihydrochloride has a molecular weight of 298.25 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxylic acid;dihydrochloride is sourced from PubChem (CID 142750509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).