5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile

C11H17N3O2 — CID 60673570

IUPAC5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile
SMILESCCC1(C)NC(=O)N(CCCCC#N)C1=O
InChIInChI=1S/C11H17N3O2/c1-3-11(2)9(15)14(10(16)13-11)8-6-4-5-7-12/h3-6,8H2,1-2H3,(H,13,16)
InChIKeyDDUWRVXVYRIPLS-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.40
Rot. Bonds5

About 5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile

5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile (PubChem CID 60673570) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile
PubChem CID60673570
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile
SMILESCCC1(C)NC(=O)N(CCCCC#N)C1=O
InChIInChI=1S/C11H17N3O2/c1-3-11(2)9(15)14(10(16)13-11)8-6-4-5-7-12/h3-6,8H2,1-2H3,(H,13,16)
InChIKeyDDUWRVXVYRIPLS-UHFFFAOYSA-N
XLogP1.40
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea
CID 99122564
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63039438
4-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]butanenitrile
CID 78881629
3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 63629297
3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18070377
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
CID 63577196
3-chloro-5-[3-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylamino]-1,2-thiazole-4-carbonitrile
CID 97212772
3-chloro-5-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propylamino]-1,2-thiazole-4-carbonitrile
CID 75371023
1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide
CID 111121565
3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 61396577
4-[1-(3-cyanopropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 78789441
1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111782767

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile?
The IUPAC name of 5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile (CID 60673570) is 5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile.
What is the SMILES notation for 5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile?
The canonical SMILES for 5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile is CCC1(C)NC(=O)N(CCCCC#N)C1=O.
What is the InChIKey of 5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile?
The InChIKey is DDUWRVXVYRIPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-11(2)9(15)14(10(16)13-11)8-6-4-5-7-12/h3-6,8H2,1-2H3,(H,13,16).
What are the key properties of 5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile?
5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile has a molecular weight of 223.28 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile is sourced from PubChem (CID 60673570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).