1-(3-hydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile

C12H18N2O2 — CID 55208783

IUPAC1-(3-hydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(O)C2)CCCCC1
InChIInChI=1S/C12H18N2O2/c13-9-12(5-2-1-3-6-12)11(16)14-7-4-10(15)8-14/h10,15H,1-8H2
InChIKeyUJLHXAXSVIEZEZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.05
Rot. Bonds1

About 1-(3-hydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile

1-(3-hydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile (PubChem CID 55208783) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile
PubChem CID55208783
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(3-hydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(O)C2)CCCCC1
InChIInChI=1S/C12H18N2O2/c13-9-12(5-2-1-3-6-12)11(16)14-7-4-10(15)8-14/h10,15H,1-8H2
InChIKeyUJLHXAXSVIEZEZ-UHFFFAOYSA-N
XLogP1.05
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Hydroxyazetidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 71970777
1-[3-(Difluoromethyl)-3-hydroxypyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 128593800
3-Cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 17917960
2-Cyclohexyl-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62917593
(4-Tert-butylcyclohexyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917790
1-Cyclohexanecarbonylpyrrolidin-3-ol
CID 62918264
(R)-Cyclohexyl(3-hydroxypyrrolidin-1-yl)methanone
CID 66260468
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2,2-dimethyloctan-1-one
CID 126510319
1-(3-Hydroxypyrrolidin-1-yl)-2,2-dimethyloctan-1-one
CID 138612597
3-Cyclohexyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxopyrrolidine-3-carbonitrile
CID 174620907
1-[4-(2-Hydroxy-3,3-dimethylbutyl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 53619585
2-(3-Hydroxypyrrolidine-1-carbonyl)-2-propylpentanenitrile
CID 55131938

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(3-hydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile (CID 55208783) is 1-(3-hydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(3-hydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(3-hydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile is N#CC1(C(=O)N2CCC(O)C2)CCCCC1.
What is the InChIKey of 1-(3-hydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile?
The InChIKey is UJLHXAXSVIEZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-9-12(5-2-1-3-6-12)11(16)14-7-4-10(15)8-14/h10,15H,1-8H2.
What are the key properties of 1-(3-hydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile?
1-(3-hydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile has a molecular weight of 222.29 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 55208783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).