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

C7H12N4O3 — CID 175078426

IUPAC3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanehydrazide
SMILESCC1(CCC(=O)NN)NC(=O)NC1=O
InChIInChI=1S/C7H12N4O3/c1-7(3-2-4(12)11-8)5(13)9-6(14)10-7/h2-3,8H2,1H3,(H,11,12)(H2,9,10,13,14)
InChIKeyDNDWLLXMJQMFPS-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.65
Rot. Bonds3

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

3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanehydrazide (PubChem CID 175078426) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanehydrazide.

Molecular Properties

Compound Name3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanehydrazide
PubChem CID175078426
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanehydrazide
SMILESCC1(CCC(=O)NN)NC(=O)NC1=O
InChIInChI=1S/C7H12N4O3/c1-7(3-2-4(12)11-8)5(13)9-6(14)10-7/h2-3,8H2,1H3,(H,11,12)(H2,9,10,13,14)
InChIKeyDNDWLLXMJQMFPS-UHFFFAOYSA-N
XLogP-1.65
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
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

5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 47003415
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51592551
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
CID 63577196
[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonamide
CID 141057979
5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121448965
hexanehydrazide;pyrrole-2,5-dione
CID 175186516
(5R)-5-methyl-5-(methylsulfonylmethyl)imidazolidine-2,4-dione
CID 59710540
N-[2-methyl-1-(4-methyl-2,5-dioxoimidazolidin-4-yl)propan-2-yl]prop-2-enamide
CID 59054190
hexanedihydrazide;pentanedihydrazide
CID 157195533
(5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121449011
5-methyl-5-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen
CID 145414351
5-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121438005

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanehydrazide?
The IUPAC name of 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanehydrazide (CID 175078426) is 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanehydrazide.
What is the SMILES notation for 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanehydrazide?
The canonical SMILES for 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanehydrazide is CC1(CCC(=O)NN)NC(=O)NC1=O.
What is the InChIKey of 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanehydrazide?
The InChIKey is DNDWLLXMJQMFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-7(3-2-4(12)11-8)5(13)9-6(14)10-7/h2-3,8H2,1H3,(H,11,12)(H2,9,10,13,14).
What are the key properties of 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanehydrazide?
3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanehydrazide has a molecular weight of 200.20 g/mol, XLogP of -1.65, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)propanehydrazide is sourced from PubChem (CID 175078426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).