1,3-bis(but-2-enyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione

C13H18N2O3 — CID 70028426

IUPAC1,3-bis(but-2-enyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione
SMILESCC=CCN1C(=O)N(CC=CC)C2C(=O)OCC21
InChIInChI=1S/C13H18N2O3/c1-3-5-7-14-10-9-18-12(16)11(10)15(13(14)17)8-6-4-2/h3-6,10-11H,7-9H2,1-2H3
InChIKeyYYAHEWIBSAXKAQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.17
Rot. Bonds4

About 1,3-bis(but-2-enyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione

1,3-bis(but-2-enyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione (PubChem CID 70028426) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1,3-bis(but-2-enyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione.

Molecular Properties

Compound Name1,3-bis(but-2-enyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione
PubChem CID70028426
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1,3-bis(but-2-enyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione
SMILESCC=CCN1C(=O)N(CC=CC)C2C(=O)OCC21
InChIInChI=1S/C13H18N2O3/c1-3-5-7-14-10-9-18-12(16)11(10)15(13(14)17)8-6-4-2/h3-6,10-11H,7-9H2,1-2H3
InChIKeyYYAHEWIBSAXKAQ-UHFFFAOYSA-N
XLogP1.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(but-2-enyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione?
The IUPAC name of 1,3-bis(but-2-enyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione (CID 70028426) is 1,3-bis(but-2-enyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione.
What is the SMILES notation for 1,3-bis(but-2-enyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione?
The canonical SMILES for 1,3-bis(but-2-enyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione is CC=CCN1C(=O)N(CC=CC)C2C(=O)OCC21.
What is the InChIKey of 1,3-bis(but-2-enyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione?
The InChIKey is YYAHEWIBSAXKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-5-7-14-10-9-18-12(16)11(10)15(13(14)17)8-6-4-2/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 1,3-bis(but-2-enyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione?
1,3-bis(but-2-enyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione has a molecular weight of 250.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(but-2-enyl)-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione is sourced from PubChem (CID 70028426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).