3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile

C9H15N3O — CID 116980234

IUPAC3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile
SMILESCC(C)C1CN(CCC#N)C(=O)N1
InChIInChI=1S/C9H15N3O/c1-7(2)8-6-12(5-3-4-10)9(13)11-8/h7-8H,3,5-6H2,1-2H3,(H,11,13)
InChIKeySRJSPLAMJGCWAN-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.95
Rot. Bonds3

About 3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile

3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile (PubChem CID 116980234) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile
PubChem CID116980234
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile
SMILESCC(C)C1CN(CCC#N)C(=O)N1
InChIInChI=1S/C9H15N3O/c1-7(2)8-6-12(5-3-4-10)9(13)11-8/h7-8H,3,5-6H2,1-2H3,(H,11,13)
InChIKeySRJSPLAMJGCWAN-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

methyl 3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanoate
CID 116980354
1-(2-amino-2-methylpropyl)-4-propan-2-ylimidazolidin-2-one
CID 116978490
1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one
CID 116980735
1-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylimidazolidin-2-one
CID 116978819
1-(2-morpholin-2-ylethyl)-4-propan-2-ylimidazolidin-2-one
CID 116980660
3-[4-(2-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116980283
3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile
CID 115825252
1-(1-aminopropan-2-yl)-4-propan-2-ylimidazolidin-2-one
CID 116978304
3-[4-(4-fluoro-3-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116980248
3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile
CID 139841119
3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile
CID 116982510
4-(3-methyl-5-oxopiperazin-1-yl)butanenitrile
CID 130921073

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile?
The IUPAC name of 3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile (CID 116980234) is 3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile?
The canonical SMILES for 3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile is CC(C)C1CN(CCC#N)C(=O)N1.
What is the InChIKey of 3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile?
The InChIKey is SRJSPLAMJGCWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)8-6-12(5-3-4-10)9(13)11-8/h7-8H,3,5-6H2,1-2H3,(H,11,13).
What are the key properties of 3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile?
3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile 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 3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile is sourced from PubChem (CID 116980234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).