2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile

C7H12N2O — CID 66291661

IUPAC2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile
SMILESCC(C#N)N1CC[C@@H](O)C1
InChIInChI=1S/C7H12N2O/c1-6(4-8)9-3-2-7(10)5-9/h6-7,10H,2-3,5H2,1H3/t6?,7-/m1/s1
InChIKeyUTLIHKYHYAIMGR-COBSHVIPSA-N
MW140.19 g/mol
LogP-0.03
Rot. Bonds1

About 2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile

2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile (PubChem CID 66291661) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile
PubChem CID66291661
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile
SMILESCC(C#N)N1CC[C@@H](O)C1
InChIInChI=1S/C7H12N2O/c1-6(4-8)9-3-2-7(10)5-9/h6-7,10H,2-3,5H2,1H3/t6?,7-/m1/s1
InChIKeyUTLIHKYHYAIMGR-COBSHVIPSA-N
XLogP-0.03
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-3-methylpiperidin-1-yl)propanenitrile
CID 114502562
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
2-(3-hydroxypyrrolidin-1-yl)butanenitrile
CID 62916642
1-(1-aminoethyl)pyrrolidin-3-ol
CID 68831329
(3S)-1-[(2R)-3-methylbutan-2-yl]pyrrolidin-3-ol
CID 172508295
acetonitrile;1-propan-2-ylpiperidin-3-ol
CID 144865621
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 66291565
2-(4-methoxypiperidin-1-yl)propanenitrile
CID 60704176
methyl 1-(1-cyanoethyl)piperidine-4-carboxylate
CID 60644934
2-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile
CID 60646401
2-(3-formylpiperidin-1-yl)propanenitrile
CID 62656200
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanenitrile
CID 79931948

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile?
The IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile (CID 66291661) is 2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile.
What is the SMILES notation for 2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile?
The canonical SMILES for 2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile is CC(C#N)N1CC[C@@H](O)C1.
What is the InChIKey of 2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile?
The InChIKey is UTLIHKYHYAIMGR-COBSHVIPSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(4-8)9-3-2-7(10)5-9/h6-7,10H,2-3,5H2,1H3/t6?,7-/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile?
2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile has a molecular weight of 140.19 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile is sourced from PubChem (CID 66291661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).