2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pentanenitrile

C10H16N2O2 — CID 107877699

IUPAC2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pentanenitrile
SMILESCCCC(C#N)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C10H16N2O2/c1-2-3-8(6-11)10(14)12-5-4-9(13)7-12/h8-9,13H,2-5,7H2,1H3/t8?,9-/m1/s1
InChIKeyZQGMSRRRTVJJIK-YGPZHTELSA-N
MW196.25 g/mol
LogP0.52
Rot. Bonds3

About 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pentanenitrile

2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pentanenitrile (PubChem CID 107877699) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pentanenitrile.

Molecular Properties

Compound Name2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pentanenitrile
PubChem CID107877699
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pentanenitrile
SMILESCCCC(C#N)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C10H16N2O2/c1-2-3-8(6-11)10(14)12-5-4-9(13)7-12/h8-9,13H,2-5,7H2,1H3/t8?,9-/m1/s1
InChIKeyZQGMSRRRTVJJIK-YGPZHTELSA-N
XLogP0.52
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pentanenitrile?
The IUPAC name of 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pentanenitrile (CID 107877699) is 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pentanenitrile.
What is the SMILES notation for 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pentanenitrile?
The canonical SMILES for 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pentanenitrile is CCCC(C#N)C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pentanenitrile?
The InChIKey is ZQGMSRRRTVJJIK-YGPZHTELSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-3-8(6-11)10(14)12-5-4-9(13)7-12/h8-9,13H,2-5,7H2,1H3/t8?,9-/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pentanenitrile?
2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pentanenitrile has a molecular weight of 196.25 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pentanenitrile is sourced from PubChem (CID 107877699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).