3-butyl-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione

C11H18N2O2 — CID 12767209

IUPAC3-butyl-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione
SMILESCCCCN1C(=O)C(=C(C)C)N(C)C1=O
InChIInChI=1S/C11H18N2O2/c1-5-6-7-13-10(14)9(8(2)3)12(4)11(13)15/h5-7H2,1-4H3
InChIKeyAPCHWTANCKLUIZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.97
Rot. Bonds3

About 3-butyl-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione

3-butyl-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione (PubChem CID 12767209) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-butyl-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione
PubChem CID12767209
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-butyl-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione
SMILESCCCCN1C(=O)C(=C(C)C)N(C)C1=O
InChIInChI=1S/C11H18N2O2/c1-5-6-7-13-10(14)9(8(2)3)12(4)11(13)15/h5-7H2,1-4H3
InChIKeyAPCHWTANCKLUIZ-UHFFFAOYSA-N
XLogP1.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione?
The IUPAC name of 3-butyl-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione (CID 12767209) is 3-butyl-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione.
What is the SMILES notation for 3-butyl-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione?
The canonical SMILES for 3-butyl-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione is CCCCN1C(=O)C(=C(C)C)N(C)C1=O.
What is the InChIKey of 3-butyl-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione?
The InChIKey is APCHWTANCKLUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-6-7-13-10(14)9(8(2)3)12(4)11(13)15/h5-7H2,1-4H3.
What are the key properties of 3-butyl-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione?
3-butyl-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione has a molecular weight of 210.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione is sourced from PubChem (CID 12767209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).