2,2-dimethyl-4-(2-oxoimidazolidin-1-yl)butanenitrile

C9H15N3O — CID 130682582

IUPAC2,2-dimethyl-4-(2-oxoimidazolidin-1-yl)butanenitrile
SMILESCC(C)(C#N)CCN1CCNC1=O
InChIInChI=1S/C9H15N3O/c1-9(2,7-10)3-5-12-6-4-11-8(12)13/h3-6H2,1-2H3,(H,11,13)
InChIKeyBNVVWBNCLRASNM-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.95
Rot. Bonds3

About 2,2-dimethyl-4-(2-oxoimidazolidin-1-yl)butanenitrile

2,2-dimethyl-4-(2-oxoimidazolidin-1-yl)butanenitrile (PubChem CID 130682582) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-oxoimidazolidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-oxoimidazolidin-1-yl)butanenitrile
PubChem CID130682582
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2,2-dimethyl-4-(2-oxoimidazolidin-1-yl)butanenitrile
SMILESCC(C)(C#N)CCN1CCNC1=O
InChIInChI=1S/C9H15N3O/c1-9(2,7-10)3-5-12-6-4-11-8(12)13/h3-6H2,1-2H3,(H,11,13)
InChIKeyBNVVWBNCLRASNM-UHFFFAOYSA-N
XLogP0.95
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)butanenitrile
CID 65251724
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-one
CID 130395908
2,2-dimethyl-5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanenitrile
CID 65257211
2,2-dimethyl-6-(4-methyl-2,3-dioxopiperazin-1-yl)hexanenitrile
CID 106710237
1-(2-fluoroethyl)imidazolidin-2-one
CID 87326772
2,2-dimethyl-5-(3-oxomorpholin-4-yl)pentanenitrile
CID 115278486
4-(7-amino-1-oxo-3,4-dihydroisoquinolin-2-yl)-2,2-dimethylbutanenitrile
CID 65253226
5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile
CID 65254881
1-(2-piperazin-1-ylethyl)imidazolidin-2-one;dihydrochloride
CID 47002685
ethane;1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 142017156
N,N-dimethyl-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide
CID 106338296
1-(4-methylpent-4-enyl)imidazolidin-2-one
CID 91142784

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-oxoimidazolidin-1-yl)butanenitrile?
The IUPAC name of 2,2-dimethyl-4-(2-oxoimidazolidin-1-yl)butanenitrile (CID 130682582) is 2,2-dimethyl-4-(2-oxoimidazolidin-1-yl)butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-(2-oxoimidazolidin-1-yl)butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-(2-oxoimidazolidin-1-yl)butanenitrile is CC(C)(C#N)CCN1CCNC1=O.
What is the InChIKey of 2,2-dimethyl-4-(2-oxoimidazolidin-1-yl)butanenitrile?
The InChIKey is BNVVWBNCLRASNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,7-10)3-5-12-6-4-11-8(12)13/h3-6H2,1-2H3,(H,11,13).
What are the key properties of 2,2-dimethyl-4-(2-oxoimidazolidin-1-yl)butanenitrile?
2,2-dimethyl-4-(2-oxoimidazolidin-1-yl)butanenitrile has a molecular weight of 181.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-oxoimidazolidin-1-yl)butanenitrile is sourced from PubChem (CID 130682582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).