3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione

C9H16N2O3 — CID 103936406

IUPAC3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione
SMILESCCCC(C)(O)CN1C(=O)CNC1=O
InChIInChI=1S/C9H16N2O3/c1-3-4-9(2,14)6-11-7(12)5-10-8(11)13/h14H,3-6H2,1-2H3,(H,10,13)
InChIKeyYWWZUPMNLNACJD-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.09
Rot. Bonds4

About 3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione

3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione (PubChem CID 103936406) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione
PubChem CID103936406
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione
SMILESCCCC(C)(O)CN1C(=O)CNC1=O
InChIInChI=1S/C9H16N2O3/c1-3-4-9(2,14)6-11-7(12)5-10-8(11)13/h14H,3-6H2,1-2H3,(H,10,13)
InChIKeyYWWZUPMNLNACJD-UHFFFAOYSA-N
XLogP0.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione
CID 103936481
3-(2-ethoxy-2-methylpropyl)imidazolidine-2,4-dione
CID 106704194
3-(2-methyl-2-methylsulfonylpropyl)imidazolidine-2,4-dione
CID 103936214
3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 106291114
3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione
CID 112734238
1-(2,5-dihydropyrrol-1-yl)-2-methylpentan-2-ol
CID 106291203
3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione
CID 149004673
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 110719069
3-(chloromethyl)imidazolidine-2,4-dione
CID 55286294
3-(2-butoxyethyl)imidazolidine-2,4-dione
CID 103935917
3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione
CID 130949581
4-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 107841978

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione (CID 103936406) is 3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione is CCCC(C)(O)CN1C(=O)CNC1=O.
What is the InChIKey of 3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione?
The InChIKey is YWWZUPMNLNACJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-4-9(2,14)6-11-7(12)5-10-8(11)13/h14H,3-6H2,1-2H3,(H,10,13).
What are the key properties of 3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione?
3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione has a molecular weight of 200.24 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione is sourced from PubChem (CID 103936406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).