2-N,3-N,3-N-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

C15H24N2O2 — CID 3046205

IUPAC2-N,3-N,3-N-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
SMILESCCNC(=O)C1C2C=CC(C2)C1C(=O)N(CC)CC
InChIInChI=1S/C15H24N2O2/c1-4-16-14(18)12-10-7-8-11(9-10)13(12)15(19)17(5-2)6-3/h7-8,10-13H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyRKDDIYAYLXKJKS-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.43
Rot. Bonds5

About 2-N,3-N,3-N-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

2-N,3-N,3-N-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide (PubChem CID 3046205) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-N,3-N,3-N-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N,3-N,3-N-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
PubChem CID3046205
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-N,3-N,3-N-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
SMILESCCNC(=O)C1C2C=CC(C2)C1C(=O)N(CC)CC
InChIInChI=1S/C15H24N2O2/c1-4-16-14(18)12-10-7-8-11(9-10)13(12)15(19)17(5-2)6-3/h7-8,10-13H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyRKDDIYAYLXKJKS-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
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-N,3-N,3-N-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The IUPAC name of 2-N,3-N,3-N-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide (CID 3046205) is 2-N,3-N,3-N-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide.
What is the SMILES notation for 2-N,3-N,3-N-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The canonical SMILES for 2-N,3-N,3-N-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide is CCNC(=O)C1C2C=CC(C2)C1C(=O)N(CC)CC.
What is the InChIKey of 2-N,3-N,3-N-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The InChIKey is RKDDIYAYLXKJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-16-14(18)12-10-7-8-11(9-10)13(12)15(19)17(5-2)6-3/h7-8,10-13H,4-6,9H2,1-3H3,(H,16,18).
What are the key properties of 2-N,3-N,3-N-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
2-N,3-N,3-N-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,3-N-triethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide is sourced from PubChem (CID 3046205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).