5-butan-2-yl-5-hydroxyimidazolidine-2,4-dione

C7H12N2O3 — CID 19847220

IUPAC5-butan-2-yl-5-hydroxyimidazolidine-2,4-dione
SMILESCCC(C)C1(O)NC(=O)NC1=O
InChIInChI=1S/C7H12N2O3/c1-3-4(2)7(12)5(10)8-6(11)9-7/h4,12H,3H2,1-2H3,(H2,8,9,10,11)
InChIKeyZCXMFCJBFWJWBA-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.44
Rot. Bonds2

About 5-butan-2-yl-5-hydroxyimidazolidine-2,4-dione

5-butan-2-yl-5-hydroxyimidazolidine-2,4-dione (PubChem CID 19847220) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 5-butan-2-yl-5-hydroxyimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butan-2-yl-5-hydroxyimidazolidine-2,4-dione
PubChem CID19847220
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name5-butan-2-yl-5-hydroxyimidazolidine-2,4-dione
SMILESCCC(C)C1(O)NC(=O)NC1=O
InChIInChI=1S/C7H12N2O3/c1-3-4(2)7(12)5(10)8-6(11)9-7/h4,12H,3H2,1-2H3,(H2,8,9,10,11)
InChIKeyZCXMFCJBFWJWBA-UHFFFAOYSA-N
XLogP-0.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-hydroxyimidazolidine-2,4-dione
CID 15593848
5-hydroxy-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 19847219
(5R)-5-ethyl-5-propan-2-ylimidazolidine-2,4-dione
CID 51382710
5-(2-bromoprop-2-enyl)-5-[(2S)-butan-2-yl]-1,3-diazinane-2,4,6-trione
CID 76966346
5-[(2R)-butan-2-yl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 76959567
5-[(E)-3-bromoprop-1-enyl]-5-butan-2-yl-1,3-diazinane-2,4,6-trione
CID 24834072
5-hexyl-5-hydroxyimidazolidine-2,4-dione
CID 70494032
8-(2-amino-3-methylpentanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60963359
2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione
CID 147382096
5-(4-butan-2-ylphenyl)-5-methylimidazolidine-2,4-dione
CID 82130700
3-butan-2-yl-3-hydroxy-4-methyl-2H-pyrrolo[3,4-b]quinoline-1,9-dione
CID 10401736
(3S)-3-[(2S)-butan-2-yl]-3-hydroxy-4-methyl-2H-pyrrolo[3,4-b]quinoline-1,9-dione
CID 11529347

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-5-hydroxyimidazolidine-2,4-dione?
The IUPAC name of 5-butan-2-yl-5-hydroxyimidazolidine-2,4-dione (CID 19847220) is 5-butan-2-yl-5-hydroxyimidazolidine-2,4-dione.
What is the SMILES notation for 5-butan-2-yl-5-hydroxyimidazolidine-2,4-dione?
The canonical SMILES for 5-butan-2-yl-5-hydroxyimidazolidine-2,4-dione is CCC(C)C1(O)NC(=O)NC1=O.
What is the InChIKey of 5-butan-2-yl-5-hydroxyimidazolidine-2,4-dione?
The InChIKey is ZCXMFCJBFWJWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-3-4(2)7(12)5(10)8-6(11)9-7/h4,12H,3H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 5-butan-2-yl-5-hydroxyimidazolidine-2,4-dione?
5-butan-2-yl-5-hydroxyimidazolidine-2,4-dione has a molecular weight of 172.18 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-5-hydroxyimidazolidine-2,4-dione is sourced from PubChem (CID 19847220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).