2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile

C9H14N2O — CID 26365911

IUPAC2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile
SMILESCC(C)(C#N)C(=O)N1CCCC1
InChIInChI=1S/C9H14N2O/c1-9(2,7-10)8(12)11-5-3-4-6-11/h3-6H2,1-2H3
InChIKeyDTDZOHAJINLELT-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.16
Rot. Bonds1

About 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile

2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile (PubChem CID 26365911) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile
PubChem CID26365911
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile
SMILESCC(C)(C#N)C(=O)N1CCCC1
InChIInChI=1S/C9H14N2O/c1-9(2,7-10)8(12)11-5-3-4-6-11/h3-6H2,1-2H3
InChIKeyDTDZOHAJINLELT-UHFFFAOYSA-N
XLogP1.16
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Cyanoacetyl)pyrrolidine
CID 84272
2-Oxo-1-pyrrolidinepropionitrile
CID 352624
1-Propanone, 2-methyl-1-(1-pyrrolidinyl)-
CID 5143352
2,2-Dimethyl-1-(pyrrolidin-1-yl)propan-1-one
CID 566664
3-[3-(Fluoromethyl)-4-methylpyrrolidin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 68350347
3-[(3R,4S)-3-(fluoromethyl)-4-methylpyrrolidin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 117883356
1-[(3R)-3-fluoro-3-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 122692037
1-(2,2-Dimethylpropanoyl)-3-fluoropyrrolidine-3-carbonitrile
CID 126750443
3-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 144443627
(2S,4S)-1-(2,2-dimethylpropanoyl)-4-fluoropyrrolidine-2-carbonitrile
CID 176757685
2-(Pyrrolidine-1-carbonyl)butanenitrile
CID 61847134
3-(3,3-Difluoropyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanenitrile
CID 116991738

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
The IUPAC name of 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile (CID 26365911) is 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
The canonical SMILES for 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile is CC(C)(C#N)C(=O)N1CCCC1.
What is the InChIKey of 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
The InChIKey is DTDZOHAJINLELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(2,7-10)8(12)11-5-3-4-6-11/h3-6H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile has a molecular weight of 166.22 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile is sourced from PubChem (CID 26365911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).