N-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride

C12H23ClN2O2 — CID 111425069

IUPACN-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCC1(C(=O)NC2CCC(O)CC2)CCCN1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-12(7-2-8-13-12)11(16)14-9-3-5-10(15)6-4-9;/h9-10,13,15H,2-8H2,1H3,(H,14,16);1H
InChIKeyWTOXZAWKEYJWHW-UHFFFAOYSA-N
MW262.78 g/mol
LogP0.97
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride

N-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 111425069) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID111425069
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC NameN-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCC1(C(=O)NC2CCC(O)CC2)CCCN1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-12(7-2-8-13-12)11(16)14-9-3-5-10(15)6-4-9;/h9-10,13,15H,2-8H2,1H3,(H,14,16);1H
InChIKeyWTOXZAWKEYJWHW-UHFFFAOYSA-N
XLogP0.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride (CID 111425069) is N-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride is CC1(C(=O)NC2CCC(O)CC2)CCCN1.Cl.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is WTOXZAWKEYJWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c1-12(7-2-8-13-12)11(16)14-9-3-5-10(15)6-4-9;/h9-10,13,15H,2-8H2,1H3,(H,14,16);1H.
What are the key properties of N-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride?
N-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 111425069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).