3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide

C9H16N4O3 — CID 63577196

IUPAC3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
SMILESCCC1(C)NC(=O)N(CCC(=O)NN)C1=O
InChIInChI=1S/C9H16N4O3/c1-3-9(2)7(15)13(8(16)11-9)5-4-6(14)12-10/h3-5,10H2,1-2H3,(H,11,16)(H,12,14)
InChIKeyPTHYPPBWMGHXPZ-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.91
Rot. Bonds4

About 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide

3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide (PubChem CID 63577196) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
PubChem CID63577196
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
SMILESCCC1(C)NC(=O)N(CCC(=O)NN)C1=O
InChIInChI=1S/C9H16N4O3/c1-3-9(2)7(15)13(8(16)11-9)5-4-6(14)12-10/h3-5,10H2,1-2H3,(H,11,16)(H,12,14)
InChIKeyPTHYPPBWMGHXPZ-UHFFFAOYSA-N
XLogP-0.91
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea
CID 99122564
3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 61396577
3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid
CID 43170651
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63039438
hydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 66337876
ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate
CID 95357591
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 63629297
5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile
CID 60673570
methyl 3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
CID 60636188
3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide
CID 115947318
3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18070377

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide?
The IUPAC name of 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide (CID 63577196) is 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide.
What is the SMILES notation for 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide?
The canonical SMILES for 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide is CCC1(C)NC(=O)N(CCC(=O)NN)C1=O.
What is the InChIKey of 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide?
The InChIKey is PTHYPPBWMGHXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-3-9(2)7(15)13(8(16)11-9)5-4-6(14)12-10/h3-5,10H2,1-2H3,(H,11,16)(H,12,14).
What are the key properties of 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide?
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide has a molecular weight of 228.25 g/mol, XLogP of -0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide is sourced from PubChem (CID 63577196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).