N-(2,6-dioxopiperidin-3-yl)-7-oxabicyclo[4.1.0]hepta-2,4-diene-3-carboxamide

C12H12N2O4 — CID 89256672

IUPACN-(2,6-dioxopiperidin-3-yl)-7-oxabicyclo[4.1.0]hepta-2,4-diene-3-carboxamide
SMILESO=C1CCC(NC(=O)C2=CC3OC3C=C2)C(=O)N1
InChIInChI=1S/C12H12N2O4/c15-10-4-2-7(12(17)14-10)13-11(16)6-1-3-8-9(5-6)18-8/h1,3,5,7-9H,2,4H2,(H,13,16)(H,14,15,17)
InChIKeyOLCVACXJGMIKLW-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.83
Rot. Bonds2

About N-(2,6-dioxopiperidin-3-yl)-7-oxabicyclo[4.1.0]hepta-2,4-diene-3-carboxamide

N-(2,6-dioxopiperidin-3-yl)-7-oxabicyclo[4.1.0]hepta-2,4-diene-3-carboxamide (PubChem CID 89256672) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-7-oxabicyclo[4.1.0]hepta-2,4-diene-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-7-oxabicyclo[4.1.0]hepta-2,4-diene-3-carboxamide
PubChem CID89256672
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-7-oxabicyclo[4.1.0]hepta-2,4-diene-3-carboxamide
SMILESO=C1CCC(NC(=O)C2=CC3OC3C=C2)C(=O)N1
InChIInChI=1S/C12H12N2O4/c15-10-4-2-7(12(17)14-10)13-11(16)6-1-3-8-9(5-6)18-8/h1,3,5,7-9H,2,4H2,(H,13,16)(H,14,15,17)
InChIKeyOLCVACXJGMIKLW-UHFFFAOYSA-N
XLogP-0.83
TPSA87.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-7-oxabicyclo[4.1.0]hepta-2,4-diene-3-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-7-oxabicyclo[4.1.0]hepta-2,4-diene-3-carboxamide (CID 89256672) is N-(2,6-dioxopiperidin-3-yl)-7-oxabicyclo[4.1.0]hepta-2,4-diene-3-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-7-oxabicyclo[4.1.0]hepta-2,4-diene-3-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-7-oxabicyclo[4.1.0]hepta-2,4-diene-3-carboxamide is O=C1CCC(NC(=O)C2=CC3OC3C=C2)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-7-oxabicyclo[4.1.0]hepta-2,4-diene-3-carboxamide?
The InChIKey is OLCVACXJGMIKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-10-4-2-7(12(17)14-10)13-11(16)6-1-3-8-9(5-6)18-8/h1,3,5,7-9H,2,4H2,(H,13,16)(H,14,15,17).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-7-oxabicyclo[4.1.0]hepta-2,4-diene-3-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-7-oxabicyclo[4.1.0]hepta-2,4-diene-3-carboxamide has a molecular weight of 248.24 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-7-oxabicyclo[4.1.0]hepta-2,4-diene-3-carboxamide is sourced from PubChem (CID 89256672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).