1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile

C13H20N2O2 — CID 102780745

IUPAC1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCC1CCN(C(=O)C2(C#N)CCCC2)C1CO
InChIInChI=1S/C13H20N2O2/c1-10-4-7-15(11(10)8-16)12(17)13(9-14)5-2-3-6-13/h10-11,16H,2-8H2,1H3
InChIKeyGEZJMLQILZCSBA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.30
Rot. Bonds2

About 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile

1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 102780745) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
PubChem CID102780745
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCC1CCN(C(=O)C2(C#N)CCCC2)C1CO
InChIInChI=1S/C13H20N2O2/c1-10-4-7-15(11(10)8-16)12(17)13(9-14)5-2-3-6-13/h10-11,16H,2-8H2,1H3
InChIKeyGEZJMLQILZCSBA-UHFFFAOYSA-N
XLogP1.30
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 102780761
1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 102780747
1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 62331229
1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
CID 114011856
1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 61459107
[1-(aminomethyl)cyclopropyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102778470
1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 79005828
(3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780497
N-(1-cyanocycloheptyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102789059
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile
CID 81203042
1-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 102783243
1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 83056317

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile (CID 102780745) is 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile is CC1CCN(C(=O)C2(C#N)CCCC2)C1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is GEZJMLQILZCSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-4-7-15(11(10)8-16)12(17)13(9-14)5-2-3-6-13/h10-11,16H,2-8H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile?
1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 236.31 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 102780745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).