1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile

C12H18N2O3 — CID 106669285

IUPAC1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile
SMILESN#CC1(C(=O)N2CC(O)C(O)C2)CCCCC1
InChIInChI=1S/C12H18N2O3/c13-8-12(4-2-1-3-5-12)11(17)14-6-9(15)10(16)7-14/h9-10,15-16H,1-7H2
InChIKeyVZQTYENXOOFHIO-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.02
Rot. Bonds1

About 1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile

1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile (PubChem CID 106669285) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile
PubChem CID106669285
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile
SMILESN#CC1(C(=O)N2CC(O)C(O)C2)CCCCC1
InChIInChI=1S/C12H18N2O3/c13-8-12(4-2-1-3-5-12)11(17)14-6-9(15)10(16)7-14/h9-10,15-16H,1-7H2
InChIKeyVZQTYENXOOFHIO-UHFFFAOYSA-N
XLogP0.02
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cycloheptane-1-carbonitrile
CID 115559859
1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773
1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 78994637
1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile
CID 164651159
1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile
CID 102932743
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)cyclopentane-1-carbonitrile
CID 60718273
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile
CID 79079811
methyl 1-(1-cyanocycloheptanecarbonyl)piperidine-3-carboxylate
CID 115534455
1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
CID 114797597
1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 131208967
1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile
CID 80592362
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile (CID 106669285) is 1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile is N#CC1(C(=O)N2CC(O)C(O)C2)CCCCC1.
What is the InChIKey of 1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile?
The InChIKey is VZQTYENXOOFHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-8-12(4-2-1-3-5-12)11(17)14-6-9(15)10(16)7-14/h9-10,15-16H,1-7H2.
What are the key properties of 1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile?
1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 106669285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).