N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride

C11H21ClN2O2 — CID 110911866

IUPACN-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCCC1O)C1CCCN1
InChIInChI=1S/C11H20N2O2.ClH/c14-10-6-2-1-4-8(10)13-11(15)9-5-3-7-12-9;/h8-10,12,14H,1-7H2,(H,13,15);1H
InChIKeyAKAUBIONUBNCSQ-UHFFFAOYSA-N
MW248.75 g/mol
LogP0.58
Rot. Bonds2

About N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride

N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 110911866) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID110911866
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC NameN-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCCC1O)C1CCCN1
InChIInChI=1S/C11H20N2O2.ClH/c14-10-6-2-1-4-8(10)13-11(15)9-5-3-7-12-9;/h8-10,12,14H,1-7H2,(H,13,15);1H
InChIKeyAKAUBIONUBNCSQ-UHFFFAOYSA-N
XLogP0.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-tert-butylcyclohexyl)pyrrolidine-2-carboxamide
CID 61155156
(2R)-N-(2-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide
CID 103796390
N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-3-carboxamide
CID 107222110
N-(2-hydroxycyclohexyl)-1,3-thiazolidine-4-carboxamide
CID 62359079
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
N-(2-methylcyclopentyl)pyrrolidine-2-carboxamide
CID 63281892
N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide
CID 107221723
N-(2-methylcyclohexyl)azepane-2-carboxamide
CID 64564160
(2R)-N-(4-methyloxolan-3-yl)pyrrolidine-2-carboxamide
CID 164659167
(2S)-N-[2-(hydroxymethyl)cyclopentyl]pyrrolidine-2-carboxamide
CID 103796945
(2R)-N-[2-(hydroxymethyl)cyclopentyl]pyrrolidine-2-carboxamide
CID 103796942
(2R)-N-[2-(hydroxymethyl)cyclohexyl]piperidine-2-carboxamide
CID 114178725

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride (CID 110911866) is N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NC1CCCCC1O)C1CCCN1.
What is the InChIKey of N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is AKAUBIONUBNCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c14-10-6-2-1-4-8(10)13-11(15)9-5-3-7-12-9;/h8-10,12,14H,1-7H2,(H,13,15);1H.
What are the key properties of N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 110911866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).