1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione

C9H14N2O2 — CID 130635522

IUPAC1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione
SMILESC=CCC(C)N1C(=O)CN(C)C1=O
InChIInChI=1S/C9H14N2O2/c1-4-5-7(2)11-8(12)6-10(3)9(11)13/h4,7H,1,5-6H2,2-3H3
InChIKeyLGQISRHLHMTLHB-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.85
Rot. Bonds3

About 1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione

1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione (PubChem CID 130635522) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione
PubChem CID130635522
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione
SMILESC=CCC(C)N1C(=O)CN(C)C1=O
InChIInChI=1S/C9H14N2O2/c1-4-5-7(2)11-8(12)6-10(3)9(11)13/h4,7H,1,5-6H2,2-3H3
InChIKeyLGQISRHLHMTLHB-UHFFFAOYSA-N
XLogP0.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.85
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione (CID 130635522) is 1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione is C=CCC(C)N1C(=O)CN(C)C1=O.
What is the InChIKey of 1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione?
The InChIKey is LGQISRHLHMTLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-5-7(2)11-8(12)6-10(3)9(11)13/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione?
1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 130635522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).