(5R)-5-butylimidazolidine-2,4-dione

C7H12N2O2 — CID 51416195

IUPAC(5R)-5-butylimidazolidine-2,4-dione
SMILESCCCC[C@H]1NC(=O)NC1=O
InChIInChI=1S/C7H12N2O2/c1-2-3-4-5-6(10)9-7(11)8-5/h5H,2-4H2,1H3,(H2,8,9,10,11)/t5-/m1/s1
InChIKeyJZBMVRBRZUZZCT-RXMQYKEDSA-N
MW156.19 g/mol
LogP0.38
Rot. Bonds3

About (5R)-5-butylimidazolidine-2,4-dione

(5R)-5-butylimidazolidine-2,4-dione (PubChem CID 51416195) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is (5R)-5-butylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-butylimidazolidine-2,4-dione
PubChem CID51416195
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name(5R)-5-butylimidazolidine-2,4-dione
SMILESCCCC[C@H]1NC(=O)NC1=O
InChIInChI=1S/C7H12N2O2/c1-2-3-4-5-6(10)9-7(11)8-5/h5H,2-4H2,1H3,(H2,8,9,10,11)/t5-/m1/s1
InChIKeyJZBMVRBRZUZZCT-RXMQYKEDSA-N
XLogP0.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-propylimidazolidine-2,4-dione
CID 567619
(5S)-5-butyl-2-sulfanylideneimidazolidin-4-one
CID 131856782
(5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione
CID 7000133
5-(4-bromobutyl)imidazolidine-2,4-dione
CID 567967
CID 66970234
CID 66970234
4-methylidene-5-pentylimidazolidin-2-one
CID 174379713
N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide
CID 99868106
5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione
CID 175318269
3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione
CID 147838598
ethyl N-amino-N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate
CID 19708160
3-butyl-6-fluoro-7-iodo-3,4-dihydro-1H-quinoxalin-2-one
CID 79291171
ethyl 4-butyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 11128419

Frequently Asked Questions

What is the IUPAC name of (5R)-5-butylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-butylimidazolidine-2,4-dione (CID 51416195) is (5R)-5-butylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-butylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-butylimidazolidine-2,4-dione is CCCC[C@H]1NC(=O)NC1=O.
What is the InChIKey of (5R)-5-butylimidazolidine-2,4-dione?
The InChIKey is JZBMVRBRZUZZCT-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-3-4-5-6(10)9-7(11)8-5/h5H,2-4H2,1H3,(H2,8,9,10,11)/t5-/m1/s1.
What are the key properties of (5R)-5-butylimidazolidine-2,4-dione?
(5R)-5-butylimidazolidine-2,4-dione has a molecular weight of 156.19 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-butylimidazolidine-2,4-dione is sourced from PubChem (CID 51416195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).