2-ethyl-2-(3-hydroxypyrrolidine-1-carbonyl)butanenitrile

C11H18N2O2 — CID 62943997

IUPAC2-ethyl-2-(3-hydroxypyrrolidine-1-carbonyl)butanenitrile
SMILESCCC(C#N)(CC)C(=O)N1CCC(O)C1
InChIInChI=1S/C11H18N2O2/c1-3-11(4-2,8-12)10(15)13-6-5-9(14)7-13/h9,14H,3-7H2,1-2H3
InChIKeyPRBGGJHQXCDTCE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.91
Rot. Bonds3

About 2-ethyl-2-(3-hydroxypyrrolidine-1-carbonyl)butanenitrile

2-ethyl-2-(3-hydroxypyrrolidine-1-carbonyl)butanenitrile (PubChem CID 62943997) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-ethyl-2-(3-hydroxypyrrolidine-1-carbonyl)butanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(3-hydroxypyrrolidine-1-carbonyl)butanenitrile
PubChem CID62943997
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-ethyl-2-(3-hydroxypyrrolidine-1-carbonyl)butanenitrile
SMILESCCC(C#N)(CC)C(=O)N1CCC(O)C1
InChIInChI=1S/C11H18N2O2/c1-3-11(4-2,8-12)10(15)13-6-5-9(14)7-13/h9,14H,3-7H2,1-2H3
InChIKeyPRBGGJHQXCDTCE-UHFFFAOYSA-N
XLogP0.91
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-hydroxypyrrolidine-1-carbonyl)butanenitrile?
The IUPAC name of 2-ethyl-2-(3-hydroxypyrrolidine-1-carbonyl)butanenitrile (CID 62943997) is 2-ethyl-2-(3-hydroxypyrrolidine-1-carbonyl)butanenitrile.
What is the SMILES notation for 2-ethyl-2-(3-hydroxypyrrolidine-1-carbonyl)butanenitrile?
The canonical SMILES for 2-ethyl-2-(3-hydroxypyrrolidine-1-carbonyl)butanenitrile is CCC(C#N)(CC)C(=O)N1CCC(O)C1.
What is the InChIKey of 2-ethyl-2-(3-hydroxypyrrolidine-1-carbonyl)butanenitrile?
The InChIKey is PRBGGJHQXCDTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-11(4-2,8-12)10(15)13-6-5-9(14)7-13/h9,14H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-2-(3-hydroxypyrrolidine-1-carbonyl)butanenitrile?
2-ethyl-2-(3-hydroxypyrrolidine-1-carbonyl)butanenitrile has a molecular weight of 210.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-hydroxypyrrolidine-1-carbonyl)butanenitrile is sourced from PubChem (CID 62943997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).