(1R,4S,5S,6R)-5,6-dinitrosobicyclo[2.2.1]hept-2-ene

C7H8N2O2 — CID 50905339

IUPAC(1R,4S,5S,6R)-5,6-dinitrosobicyclo[2.2.1]hept-2-ene
SMILESO=N[C@@H]1[C@H](N=O)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C7H8N2O2/c10-8-6-4-1-2-5(3-4)7(6)9-11/h1-2,4-7H,3H2/t4-,5+,6+,7-
InChIKeyKZEASGDRIBMWNT-RNGGSSJXSA-N
MW152.15 g/mol
LogP1.46
Rot. Bonds2

About (1R,4S,5S,6R)-5,6-dinitrosobicyclo[2.2.1]hept-2-ene

(1R,4S,5S,6R)-5,6-dinitrosobicyclo[2.2.1]hept-2-ene (PubChem CID 50905339) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is (1R,4S,5S,6R)-5,6-dinitrosobicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1R,4S,5S,6R)-5,6-dinitrosobicyclo[2.2.1]hept-2-ene
PubChem CID50905339
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name(1R,4S,5S,6R)-5,6-dinitrosobicyclo[2.2.1]hept-2-ene
SMILESO=N[C@@H]1[C@H](N=O)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C7H8N2O2/c10-8-6-4-1-2-5(3-4)7(6)9-11/h1-2,4-7H,3H2/t4-,5+,6+,7-
InChIKeyKZEASGDRIBMWNT-RNGGSSJXSA-N
XLogP1.46
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (1R,4S,5S,6R)-5,6-dinitrosobicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1R,4S,5S,6R)-5,6-dinitrosobicyclo[2.2.1]hept-2-ene (CID 50905339) is (1R,4S,5S,6R)-5,6-dinitrosobicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1R,4S,5S,6R)-5,6-dinitrosobicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1R,4S,5S,6R)-5,6-dinitrosobicyclo[2.2.1]hept-2-ene is O=N[C@@H]1[C@H](N=O)[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1R,4S,5S,6R)-5,6-dinitrosobicyclo[2.2.1]hept-2-ene?
The InChIKey is KZEASGDRIBMWNT-RNGGSSJXSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-8-6-4-1-2-5(3-4)7(6)9-11/h1-2,4-7H,3H2/t4-,5+,6+,7-.
What are the key properties of (1R,4S,5S,6R)-5,6-dinitrosobicyclo[2.2.1]hept-2-ene?
(1R,4S,5S,6R)-5,6-dinitrosobicyclo[2.2.1]hept-2-ene has a molecular weight of 152.15 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S,6R)-5,6-dinitrosobicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 50905339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).