3,3-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanenitrile

C11H18N2O — CID 130871067

IUPAC3,3-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanenitrile
SMILESCC(C)(C)C(C#N)CN1CCCC1=O
InChIInChI=1S/C11H18N2O/c1-11(2,3)9(7-12)8-13-6-4-5-10(13)14/h9H,4-6,8H2,1-3H3
InChIKeyHHGCSMZHUPAMMU-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.79
Rot. Bonds2

About 3,3-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanenitrile

3,3-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanenitrile (PubChem CID 130871067) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanenitrile.

Molecular Properties

Compound Name3,3-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanenitrile
PubChem CID130871067
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3,3-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanenitrile
SMILESCC(C)(C)C(C#N)CN1CCCC1=O
InChIInChI=1S/C11H18N2O/c1-11(2,3)9(7-12)8-13-6-4-5-10(13)14/h9H,4-6,8H2,1-3H3
InChIKeyHHGCSMZHUPAMMU-UHFFFAOYSA-N
XLogP1.79
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-one
CID 65014980
1-(3-methyl-2-sulfanylbutyl)pyrrolidin-2-one
CID 141416665
2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile
CID 65251724
3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
CID 65220431
1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane
CID 143141942
1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride
CID 70616832
1-[3-(tert-butylamino)-2-hydroxypropyl]azepan-2-one
CID 115475535
1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
CID 104550322
1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
CID 54865922
2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile
CID 65257372
1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one
CID 65012384
2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 66167247

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanenitrile?
The IUPAC name of 3,3-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanenitrile (CID 130871067) is 3,3-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanenitrile.
What is the SMILES notation for 3,3-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanenitrile?
The canonical SMILES for 3,3-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanenitrile is CC(C)(C)C(C#N)CN1CCCC1=O.
What is the InChIKey of 3,3-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanenitrile?
The InChIKey is HHGCSMZHUPAMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)9(7-12)8-13-6-4-5-10(13)14/h9H,4-6,8H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanenitrile?
3,3-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanenitrile has a molecular weight of 194.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanenitrile is sourced from PubChem (CID 130871067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).