3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile

C10H18N2O — CID 66260989

IUPAC3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCC[C@@H]1CO
InChIInChI=1S/C10H18N2O/c1-2-9(5-6-11)12-7-3-4-10(12)8-13/h9-10,13H,2-5,7-8H2,1H3/t9?,10-/m1/s1
InChIKeyRJSXQLDOUGQBEA-QVDQXJPCSA-N
MW182.27 g/mol
LogP1.14
Rot. Bonds4

About 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile

3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile (PubChem CID 66260989) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile
PubChem CID66260989
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCC[C@@H]1CO
InChIInChI=1S/C10H18N2O/c1-2-9(5-6-11)12-7-3-4-10(12)8-13/h9-10,13H,2-5,7-8H2,1H3/t9?,10-/m1/s1
InChIKeyRJSXQLDOUGQBEA-QVDQXJPCSA-N
XLogP1.14
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
CID 115312813
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile
CID 63090584
3-[2-(1-aminoethyl)piperidin-1-yl]pentanenitrile
CID 63255646
[(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol
CID 169020554
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile
CID 62886111
3-[2-(hydroxymethyl)azepan-1-yl]-3-phenylpropanenitrile
CID 116634770
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 63241803
[1-(1-methoxyethyl)pyrrolidin-2-yl]methanol
CID 89040674
3-(5-methyl-1,4-thiazepan-4-yl)pentanenitrile
CID 130805125
2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide
CID 63584047
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanenitrile
CID 79938597
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile
CID 114797618

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile?
The IUPAC name of 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile (CID 66260989) is 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile.
What is the SMILES notation for 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile?
The canonical SMILES for 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile is CCC(CC#N)N1CCC[C@@H]1CO.
What is the InChIKey of 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile?
The InChIKey is RJSXQLDOUGQBEA-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-9(5-6-11)12-7-3-4-10(12)8-13/h9-10,13H,2-5,7-8H2,1H3/t9?,10-/m1/s1.
What are the key properties of 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile?
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile is sourced from PubChem (CID 66260989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).