5-butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione

C10H16N2O2 — CID 19078759

IUPAC5-butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)NC(C(C)CC)C1=O
InChIInChI=1S/C10H16N2O2/c1-4-6-12-9(13)8(7(3)5-2)11-10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,14)
InChIKeyIDYRZTIWGVZZQF-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.14
Rot. Bonds4

About 5-butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione

5-butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione (PubChem CID 19078759) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione
PubChem CID19078759
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)NC(C(C)CC)C1=O
InChIInChI=1S/C10H16N2O2/c1-4-6-12-9(13)8(7(3)5-2)11-10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,14)
InChIKeyIDYRZTIWGVZZQF-UHFFFAOYSA-N
XLogP1.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Methylpropyl)-3-(2-propen-1-yl)-2-thioxo-4-imidazolidinone
CID 3032361
3-Allyl-5-sec-butyl-2-thioxoimidazolidin-4-one
CID 3028856
3-Cyclopentyl-5-sec-butyl-imidazolidine-2,4-dione
CID 5273850
5-(Butan-2-yl)-3-cyclohexylimidazolidine-2,4-dione
CID 5273851
8-(Cyclobutanecarbonyl)-2-methyl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 42823943
2-Methyl-8-(3-methylbutanoyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 42823944
8-(Cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 97478703
2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide
CID 51925872
N-[(2S)-1-amino-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
CID 72009197
(5S)-3-but-3-enyl-5-methyl-5-propylimidazolidine-2,4-dione
CID 97852737
5-(2-Methylpropyl)-3-(2-propenyl)-2,4-imidazolidinedione
CID 4905117
3-Ethyl-5-isobutyl-hydantoin
CID 43398137

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of 5-butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione (CID 19078759) is 5-butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for 5-butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for 5-butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione is C=CCN1C(=O)NC(C(C)CC)C1=O.
What is the InChIKey of 5-butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is IDYRZTIWGVZZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-6-12-9(13)8(7(3)5-2)11-10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,14).
What are the key properties of 5-butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione?
5-butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 19078759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).