1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride

C11H21ClN2O — CID 67294203

IUPAC1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCN(C2CCCCC2)C1
InChIInChI=1S/C11H20N2O.ClH/c12-11(14)9-6-7-13(8-9)10-4-2-1-3-5-10;/h9-10H,1-8H2,(H2,12,14);1H
InChIKeyNJYLZAUMWFBFNW-UHFFFAOYSA-N
MW232.75 g/mol
LogP1.55
Rot. Bonds2

About 1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride

1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 67294203) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID67294203
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCN(C2CCCCC2)C1
InChIInChI=1S/C11H20N2O.ClH/c12-11(14)9-6-7-13(8-9)10-4-2-1-3-5-10;/h9-10H,1-8H2,(H2,12,14);1H
InChIKeyNJYLZAUMWFBFNW-UHFFFAOYSA-N
XLogP1.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride (CID 67294203) is 1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride is Cl.NC(=O)C1CCN(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is NJYLZAUMWFBFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.ClH/c12-11(14)9-6-7-13(8-9)10-4-2-1-3-5-10;/h9-10H,1-8H2,(H2,12,14);1H.
What are the key properties of 1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride?
1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 232.75 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 67294203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).