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

C11H18N2O — CID 144507445

IUPAC2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile;ethene
SMILESC=C.CC(C)(C#N)C(=O)N1CCCC1
InChIInChI=1S/C9H14N2O.C2H4/c1-9(2,7-10)8(12)11-5-3-4-6-11;1-2/h3-6H2,1-2H3;1-2H2
InChIKeyVPLNYUWGTNNJMV-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.96
Rot. Bonds1

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

2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile;ethene (PubChem CID 144507445) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile;ethene.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile;ethene
PubChem CID144507445
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile;ethene
SMILESC=C.CC(C)(C#N)C(=O)N1CCCC1
InChIInChI=1S/C9H14N2O.C2H4/c1-9(2,7-10)8(12)11-5-3-4-6-11;1-2/h3-6H2,1-2H3;1-2H2
InChIKeyVPLNYUWGTNNJMV-UHFFFAOYSA-N
XLogP1.96
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile;ethene?
The IUPAC name of 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile;ethene (CID 144507445) is 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile;ethene.
What is the SMILES notation for 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile;ethene?
The canonical SMILES for 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile;ethene is C=C.CC(C)(C#N)C(=O)N1CCCC1.
What is the InChIKey of 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile;ethene?
The InChIKey is VPLNYUWGTNNJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.C2H4/c1-9(2,7-10)8(12)11-5-3-4-6-11;1-2/h3-6H2,1-2H3;1-2H2.
What are the key properties of 2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile;ethene?
2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile;ethene has a molecular weight of 194.28 g/mol, XLogP of 1.96, 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;ethene is sourced from PubChem (CID 144507445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).