2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C15H18N2O3 — CID 143445254

IUPAC2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCOC12C=C(N3C(=O)C4CCCCN4C3=O)C=CC1C2
InChIInChI=1S/C15H18N2O3/c1-20-15-8-10(15)5-6-11(9-15)17-13(18)12-4-2-3-7-16(12)14(17)19/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyRZOHMFFMMHOHOI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.66
Rot. Bonds2

About 2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 143445254) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID143445254
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCOC12C=C(N3C(=O)C4CCCCN4C3=O)C=CC1C2
InChIInChI=1S/C15H18N2O3/c1-20-15-8-10(15)5-6-11(9-15)17-13(18)12-4-2-3-7-16(12)14(17)19/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyRZOHMFFMMHOHOI-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 143445254) is 2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is COC12C=C(N3C(=O)C4CCCCN4C3=O)C=CC1C2.
What is the InChIKey of 2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is RZOHMFFMMHOHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-15-8-10(15)5-6-11(9-15)17-13(18)12-4-2-3-7-16(12)14(17)19/h5-6,9-10,12H,2-4,7-8H2,1H3.
What are the key properties of 2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 274.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 143445254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).