3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile

C13H19N3O2 — CID 17486200

IUPAC3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile
SMILESCC1(C2CCCCC2)NC(=O)N(CCC#N)C1=O
InChIInChI=1S/C13H19N3O2/c1-13(10-6-3-2-4-7-10)11(17)16(9-5-8-14)12(18)15-13/h10H,2-7,9H2,1H3,(H,15,18)
InChIKeyCBZFFAGNHRZGFH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.79
Rot. Bonds3

About 3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile

3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile (PubChem CID 17486200) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile
PubChem CID17486200
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile
SMILESCC1(C2CCCCC2)NC(=O)N(CCC#N)C1=O
InChIInChI=1S/C13H19N3O2/c1-13(10-6-3-2-4-7-10)11(17)16(9-5-8-14)12(18)15-13/h10H,2-7,9H2,1H3,(H,15,18)
InChIKeyCBZFFAGNHRZGFH-UHFFFAOYSA-N
XLogP1.79
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7618742
(5R)-5-cyclohexyl-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 7618695
(5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 7619041
(5S)-3-[[cyclohexyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 41411892
(5S)-5-cyclohexyl-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione
CID 7618939
(5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 7043083
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7618860
5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 154743155
3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile
CID 82148650
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7043073
(5R)-5-cyclohexyl-5-methyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazolidine-2,4-dione
CID 51887205
methyl 3-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 7619856

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile?
The IUPAC name of 3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile (CID 17486200) is 3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile?
The canonical SMILES for 3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile is CC1(C2CCCCC2)NC(=O)N(CCC#N)C1=O.
What is the InChIKey of 3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile?
The InChIKey is CBZFFAGNHRZGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(10-6-3-2-4-7-10)11(17)16(9-5-8-14)12(18)15-13/h10H,2-7,9H2,1H3,(H,15,18).
What are the key properties of 3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile?
3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile has a molecular weight of 249.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile is sourced from PubChem (CID 17486200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).