2-(1-bicyclo[2.2.1]hept-3-enyl)benzene-1,4-dicarboxamide

C15H16N2O2 — CID 66907894

IUPAC2-(1-bicyclo[2.2.1]hept-3-enyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c(C23CC=C(CC2)C3)c1
InChIInChI=1S/C15H16N2O2/c16-13(18)10-1-2-11(14(17)19)12(7-10)15-5-3-9(8-15)4-6-15/h1-3,7H,4-6,8H2,(H2,16,18)(H2,17,19)
InChIKeyOLUWRBMEZOVFAU-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.64
Rot. Bonds3

About 2-(1-bicyclo[2.2.1]hept-3-enyl)benzene-1,4-dicarboxamide

2-(1-bicyclo[2.2.1]hept-3-enyl)benzene-1,4-dicarboxamide (PubChem CID 66907894) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.1]hept-3-enyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.1]hept-3-enyl)benzene-1,4-dicarboxamide
PubChem CID66907894
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(1-bicyclo[2.2.1]hept-3-enyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c(C23CC=C(CC2)C3)c1
InChIInChI=1S/C15H16N2O2/c16-13(18)10-1-2-11(14(17)19)12(7-10)15-5-3-9(8-15)4-6-15/h1-3,7H,4-6,8H2,(H2,16,18)(H2,17,19)
InChIKeyOLUWRBMEZOVFAU-UHFFFAOYSA-N
XLogP1.64
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.64
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 2-(1-bicyclo[2.2.1]hept-3-enyl)benzene-1,4-dicarboxamide?
The IUPAC name of 2-(1-bicyclo[2.2.1]hept-3-enyl)benzene-1,4-dicarboxamide (CID 66907894) is 2-(1-bicyclo[2.2.1]hept-3-enyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-(1-bicyclo[2.2.1]hept-3-enyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 2-(1-bicyclo[2.2.1]hept-3-enyl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(N)=O)c(C23CC=C(CC2)C3)c1.
What is the InChIKey of 2-(1-bicyclo[2.2.1]hept-3-enyl)benzene-1,4-dicarboxamide?
The InChIKey is OLUWRBMEZOVFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-13(18)10-1-2-11(14(17)19)12(7-10)15-5-3-9(8-15)4-6-15/h1-3,7H,4-6,8H2,(H2,16,18)(H2,17,19).
What are the key properties of 2-(1-bicyclo[2.2.1]hept-3-enyl)benzene-1,4-dicarboxamide?
2-(1-bicyclo[2.2.1]hept-3-enyl)benzene-1,4-dicarboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.1]hept-3-enyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 66907894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).