3-(4,4-dimethylpentyl)-1-ethenylimidazolidine-2,4-dione

C12H20N2O2 — CID 59110995

IUPAC3-(4,4-dimethylpentyl)-1-ethenylimidazolidine-2,4-dione
SMILESC=CN1CC(=O)N(CCCC(C)(C)C)C1=O
InChIInChI=1S/C12H20N2O2/c1-5-13-9-10(15)14(11(13)16)8-6-7-12(2,3)4/h5H,1,6-9H2,2-4H3
InChIKeyWQKHAUFQOVARGR-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.22
Rot. Bonds4

About 3-(4,4-dimethylpentyl)-1-ethenylimidazolidine-2,4-dione

3-(4,4-dimethylpentyl)-1-ethenylimidazolidine-2,4-dione (PubChem CID 59110995) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(4,4-dimethylpentyl)-1-ethenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4,4-dimethylpentyl)-1-ethenylimidazolidine-2,4-dione
PubChem CID59110995
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(4,4-dimethylpentyl)-1-ethenylimidazolidine-2,4-dione
SMILESC=CN1CC(=O)N(CCCC(C)(C)C)C1=O
InChIInChI=1S/C12H20N2O2/c1-5-13-9-10(15)14(11(13)16)8-6-7-12(2,3)4/h5H,1,6-9H2,2-4H3
InChIKeyWQKHAUFQOVARGR-UHFFFAOYSA-N
XLogP2.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Divinyl-5-isobutyl-5-methylhydantoin
CID 294548
5-Tert-butyl-5-methyl-1,3-divinyl-imidazolidine-2,4-dione
CID 176468498
1-Ethyl-3-(2-ethyl-2-methylbutyl)imidazolidine-2,4-dione
CID 59110993
1-Ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione
CID 59110996
3-(5,5-Dimethylhexyl)-1-ethenylimidazolidine-2,4-dione
CID 59110997
3-(2,2-Dimethylpropyl)-1-ethenylimidazolidine-2,4-dione
CID 59110999
1-Ethyl-3-(5-ethyl-5-methylheptyl)imidazolidine-2,4-dione
CID 59111005
3-(3,3-Dimethylbutyl)-1-ethenylimidazolidine-2,4-dione
CID 59111009
1-Ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione
CID 59111010
1,3-Bis(4,4-dimethylpentyl)imidazolidine-2,4-dione
CID 59602715
1-Methyl-3-(4-methylpentyl)imidazolidine-2,4-dione
CID 130258078
3-(4,4-Dimethylpentyl)-1-methylimidazolidine-2,4-dione
CID 146543179

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpentyl)-1-ethenylimidazolidine-2,4-dione?
The IUPAC name of 3-(4,4-dimethylpentyl)-1-ethenylimidazolidine-2,4-dione (CID 59110995) is 3-(4,4-dimethylpentyl)-1-ethenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4,4-dimethylpentyl)-1-ethenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(4,4-dimethylpentyl)-1-ethenylimidazolidine-2,4-dione is C=CN1CC(=O)N(CCCC(C)(C)C)C1=O.
What is the InChIKey of 3-(4,4-dimethylpentyl)-1-ethenylimidazolidine-2,4-dione?
The InChIKey is WQKHAUFQOVARGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-13-9-10(15)14(11(13)16)8-6-7-12(2,3)4/h5H,1,6-9H2,2-4H3.
What are the key properties of 3-(4,4-dimethylpentyl)-1-ethenylimidazolidine-2,4-dione?
3-(4,4-dimethylpentyl)-1-ethenylimidazolidine-2,4-dione has a molecular weight of 224.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpentyl)-1-ethenylimidazolidine-2,4-dione is sourced from PubChem (CID 59110995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).