bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide

C9H10N2O2 — CID 14686245

IUPACbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide
SMILESNC(=O)C1=C(C(N)=O)C2C=CC1C2
InChIInChI=1S/C9H10N2O2/c10-8(12)6-4-1-2-5(3-4)7(6)9(11)13/h1-2,4-5H,3H2,(H2,10,12)(H2,11,13)
InChIKeyZDSNSLWFUZOBLS-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.54
Rot. Bonds2

About bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide

bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide (PubChem CID 14686245) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide
PubChem CID14686245
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Namebicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide
SMILESNC(=O)C1=C(C(N)=O)C2C=CC1C2
InChIInChI=1S/C9H10N2O2/c10-8(12)6-4-1-2-5(3-4)7(6)9(11)13/h1-2,4-5H,3H2,(H2,10,12)(H2,11,13)
InChIKeyZDSNSLWFUZOBLS-UHFFFAOYSA-N
XLogP-0.54
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide?
The IUPAC name of bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide (CID 14686245) is bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide.
What is the SMILES notation for bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide?
The canonical SMILES for bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide is NC(=O)C1=C(C(N)=O)C2C=CC1C2.
What is the InChIKey of bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide?
The InChIKey is ZDSNSLWFUZOBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-8(12)6-4-1-2-5(3-4)7(6)9(11)13/h1-2,4-5H,3H2,(H2,10,12)(H2,11,13).
What are the key properties of bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide?
bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide has a molecular weight of 178.19 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide is sourced from PubChem (CID 14686245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).