bis[2-(dimethylamino)ethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

C17H28N2O4 — CID 67291911

IUPACbis[2-(dimethylamino)ethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SMILESCN(C)CCOC(=O)C1C2C=CC(C2)C1C(=O)OCCN(C)C
InChIInChI=1S/C17H28N2O4/c1-18(2)7-9-22-16(20)14-12-5-6-13(11-12)15(14)17(21)23-10-8-19(3)4/h5-6,12-15H,7-11H2,1-4H3
InChIKeyZNNJFOPPCQMQBO-UHFFFAOYSA-N
MW324.42 g/mol
LogP0.63
Rot. Bonds8

About bis[2-(dimethylamino)ethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

bis[2-(dimethylamino)ethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (PubChem CID 67291911) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is bis[2-(dimethylamino)ethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.

Molecular Properties

Compound Namebis[2-(dimethylamino)ethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
PubChem CID67291911
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Namebis[2-(dimethylamino)ethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SMILESCN(C)CCOC(=O)C1C2C=CC(C2)C1C(=O)OCCN(C)C
InChIInChI=1S/C17H28N2O4/c1-18(2)7-9-22-16(20)14-12-5-6-13(11-12)15(14)17(21)23-10-8-19(3)4/h5-6,12-15H,7-11H2,1-4H3
InChIKeyZNNJFOPPCQMQBO-UHFFFAOYSA-N
XLogP0.63
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 bis[2-(dimethylamino)ethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The IUPAC name of bis[2-(dimethylamino)ethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (CID 67291911) is bis[2-(dimethylamino)ethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
What is the SMILES notation for bis[2-(dimethylamino)ethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The canonical SMILES for bis[2-(dimethylamino)ethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is CN(C)CCOC(=O)C1C2C=CC(C2)C1C(=O)OCCN(C)C.
What is the InChIKey of bis[2-(dimethylamino)ethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The InChIKey is ZNNJFOPPCQMQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-18(2)7-9-22-16(20)14-12-5-6-13(11-12)15(14)17(21)23-10-8-19(3)4/h5-6,12-15H,7-11H2,1-4H3.
What are the key properties of bis[2-(dimethylamino)ethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
bis[2-(dimethylamino)ethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate has a molecular weight of 324.42 g/mol, XLogP of 0.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(dimethylamino)ethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is sourced from PubChem (CID 67291911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).