7-ethylidene-2,3-diazabicyclo[2.2.1]hept-2-ene

C7H10N2 — CID 13113755

IUPAC7-ethylidene-2,3-diazabicyclo[2.2.1]hept-2-ene
SMILESCC=C1C2CCC1N=N2
InChIInChI=1S/C7H10N2/c1-2-5-6-3-4-7(5)9-8-6/h2,6-7H,3-4H2,1H3
InChIKeyOZQBLFZOKVIGJX-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.93
Rot. Bonds

About 7-ethylidene-2,3-diazabicyclo[2.2.1]hept-2-ene

7-ethylidene-2,3-diazabicyclo[2.2.1]hept-2-ene (PubChem CID 13113755) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 7-ethylidene-2,3-diazabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name7-ethylidene-2,3-diazabicyclo[2.2.1]hept-2-ene
PubChem CID13113755
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name7-ethylidene-2,3-diazabicyclo[2.2.1]hept-2-ene
SMILESCC=C1C2CCC1N=N2
InChIInChI=1S/C7H10N2/c1-2-5-6-3-4-7(5)9-8-6/h2,6-7H,3-4H2,1H3
InChIKeyOZQBLFZOKVIGJX-UHFFFAOYSA-N
XLogP1.93
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.93
H-Bond Donors ≤ 50
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 7-ethylidene-2,3-diazabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 7-ethylidene-2,3-diazabicyclo[2.2.1]hept-2-ene (CID 13113755) is 7-ethylidene-2,3-diazabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 7-ethylidene-2,3-diazabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 7-ethylidene-2,3-diazabicyclo[2.2.1]hept-2-ene is CC=C1C2CCC1N=N2.
What is the InChIKey of 7-ethylidene-2,3-diazabicyclo[2.2.1]hept-2-ene?
The InChIKey is OZQBLFZOKVIGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-5-6-3-4-7(5)9-8-6/h2,6-7H,3-4H2,1H3.
What are the key properties of 7-ethylidene-2,3-diazabicyclo[2.2.1]hept-2-ene?
7-ethylidene-2,3-diazabicyclo[2.2.1]hept-2-ene has a molecular weight of 122.17 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylidene-2,3-diazabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 13113755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).