3-butyl-1,5-dimethylimidazolidine-2,4-dione

C9H16N2O2 — CID 12767203

IUPAC3-butyl-1,5-dimethylimidazolidine-2,4-dione
SMILESCCCCN1C(=O)C(C)N(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-4-5-6-11-8(12)7(2)10(3)9(11)13/h7H,4-6H2,1-3H3
InChIKeyRJHAISZYFMVDRX-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.07
Rot. Bonds3

About 3-butyl-1,5-dimethylimidazolidine-2,4-dione

3-butyl-1,5-dimethylimidazolidine-2,4-dione (PubChem CID 12767203) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-butyl-1,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-1,5-dimethylimidazolidine-2,4-dione
PubChem CID12767203
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-butyl-1,5-dimethylimidazolidine-2,4-dione
SMILESCCCCN1C(=O)C(C)N(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-4-5-6-11-8(12)7(2)10(3)9(11)13/h7H,4-6H2,1-3H3
InChIKeyRJHAISZYFMVDRX-UHFFFAOYSA-N
XLogP1.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-butyl-1,5-dimethylimidazolidine-2,4-dione (CID 12767203) is 3-butyl-1,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-butyl-1,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-butyl-1,5-dimethylimidazolidine-2,4-dione is CCCCN1C(=O)C(C)N(C)C1=O.
What is the InChIKey of 3-butyl-1,5-dimethylimidazolidine-2,4-dione?
The InChIKey is RJHAISZYFMVDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-5-6-11-8(12)7(2)10(3)9(11)13/h7H,4-6H2,1-3H3.
What are the key properties of 3-butyl-1,5-dimethylimidazolidine-2,4-dione?
3-butyl-1,5-dimethylimidazolidine-2,4-dione has a molecular weight of 184.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 12767203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).