2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile

C12H20N2O2 — CID 114797595

IUPAC2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile
SMILESCCC(C)(C#N)C(=O)N1CCC(CCO)C1
InChIInChI=1S/C12H20N2O2/c1-3-12(2,9-13)11(16)14-6-4-10(8-14)5-7-15/h10,15H,3-8H2,1-2H3
InChIKeyABALKPUDGRCURK-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.16
Rot. Bonds4

About 2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile

2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile (PubChem CID 114797595) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile
PubChem CID114797595
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile
SMILESCCC(C)(C#N)C(=O)N1CCC(CCO)C1
InChIInChI=1S/C12H20N2O2/c1-3-12(2,9-13)11(16)14-6-4-10(8-14)5-7-15/h10,15H,3-8H2,1-2H3
InChIKeyABALKPUDGRCURK-UHFFFAOYSA-N
XLogP1.16
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile
CID 102957679
2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile
CID 114290889
methyl 1-(2-cyano-2-methylbutanoyl)piperidine-4-carboxylate
CID 114291031
2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)butanenitrile
CID 114291704
tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanenitrile
CID 130668061
2-(4-tert-butylpiperazine-1-carbonyl)-2-methylbutanenitrile
CID 114291223
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115968617
1-[3-(2-chloroethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one
CID 114801077
(2R)-2-(3-ethoxyazetidine-1-carbonyl)-2-methylbutanenitrile
CID 164642267
2-bromo-2-methyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 114329107
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]but-2-yn-1-one
CID 107989683

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile?
The IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile (CID 114797595) is 2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile?
The canonical SMILES for 2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile is CCC(C)(C#N)C(=O)N1CCC(CCO)C1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile?
The InChIKey is ABALKPUDGRCURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-12(2,9-13)11(16)14-6-4-10(8-14)5-7-15/h10,15H,3-8H2,1-2H3.
What are the key properties of 2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile?
2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile has a molecular weight of 224.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile is sourced from PubChem (CID 114797595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).