3-butyl-1-ethyl-5-methylimidazolidine-2,4-dione

C10H18N2O2 — CID 12767204

IUPAC3-butyl-1-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCCCN1C(=O)C(C)N(CC)C1=O
InChIInChI=1S/C10H18N2O2/c1-4-6-7-12-9(13)8(3)11(5-2)10(12)14/h8H,4-7H2,1-3H3
InChIKeyBCYVIGMSNQWJPC-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.46
Rot. Bonds4

About 3-butyl-1-ethyl-5-methylimidazolidine-2,4-dione

3-butyl-1-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 12767204) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-butyl-1-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-1-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID12767204
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-butyl-1-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCCCN1C(=O)C(C)N(CC)C1=O
InChIInChI=1S/C10H18N2O2/c1-4-6-7-12-9(13)8(3)11(5-2)10(12)14/h8H,4-7H2,1-3H3
InChIKeyBCYVIGMSNQWJPC-UHFFFAOYSA-N
XLogP1.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.46
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-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-butyl-1-ethyl-5-methylimidazolidine-2,4-dione (CID 12767204) is 3-butyl-1-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-butyl-1-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-butyl-1-ethyl-5-methylimidazolidine-2,4-dione is CCCCN1C(=O)C(C)N(CC)C1=O.
What is the InChIKey of 3-butyl-1-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is BCYVIGMSNQWJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-6-7-12-9(13)8(3)11(5-2)10(12)14/h8H,4-7H2,1-3H3.
What are the key properties of 3-butyl-1-ethyl-5-methylimidazolidine-2,4-dione?
3-butyl-1-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 198.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 12767204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).