3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile

C11H19N3O — CID 116982510

IUPAC3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile
SMILESCN1C(=O)N(CCC#N)CC1C(C)(C)C
InChIInChI=1S/C11H19N3O/c1-11(2,3)9-8-14(7-5-6-12)10(15)13(9)4/h9H,5,7-8H2,1-4H3
InChIKeyPMIXYRKCVSDZFB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.68
Rot. Bonds2

About 3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile

3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile (PubChem CID 116982510) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile
PubChem CID116982510
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile
SMILESCN1C(=O)N(CCC#N)CC1C(C)(C)C
InChIInChI=1S/C11H19N3O/c1-11(2,3)9-8-14(7-5-6-12)10(15)13(9)4/h9H,5,7-8H2,1-4H3
InChIKeyPMIXYRKCVSDZFB-UHFFFAOYSA-N
XLogP1.68
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate
CID 116982564
4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one
CID 116982294
3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116982515
4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one
CID 116981844
4-tert-butyl-3-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one
CID 116982275
3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile
CID 116982524
3-(3-ethyl-2-oxoimidazolidin-1-yl)propanenitrile
CID 139841119
3-(4-ethyl-2-oxopyrrolidin-1-yl)propanenitrile
CID 115825252
3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile
CID 116980234
(4S)-1-(2-adamantyl)-4-tert-butyl-3-methylimidazolidin-2-one
CID 58324644
3-(3-tert-butyl-2,4,5-trioxoimidazolidin-1-yl)propanenitrile
CID 171976949
3-(4-methyl-2,5-dioxopiperazin-1-yl)propanenitrile
CID 115825058

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile?
The IUPAC name of 3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile (CID 116982510) is 3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile?
The canonical SMILES for 3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile is CN1C(=O)N(CCC#N)CC1C(C)(C)C.
What is the InChIKey of 3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile?
The InChIKey is PMIXYRKCVSDZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)9-8-14(7-5-6-12)10(15)13(9)4/h9H,5,7-8H2,1-4H3.
What are the key properties of 3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile?
3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile has a molecular weight of 209.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile is sourced from PubChem (CID 116982510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).