(1E)-3,4-dinitrosocyclooctene

C8H12N2O2 — CID 166982026

IUPAC(1E)-3,4-dinitrosocyclooctene
SMILESO=NC1/C=C\CCCCC1N=O
InChIInChI=1S/C8H12N2O2/c11-9-7-5-3-1-2-4-6-8(7)10-12/h3,5,7-8H,1-2,4,6H2/b5-3-
InChIKeyFVPVOFHTVOYROZ-HYXAFXHYSA-N
MW168.20 g/mol
LogP2.39
Rot. Bonds2

About (1E)-3,4-dinitrosocyclooctene

(1E)-3,4-dinitrosocyclooctene (PubChem CID 166982026) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (1E)-3,4-dinitrosocyclooctene.

Molecular Properties

Compound Name(1E)-3,4-dinitrosocyclooctene
PubChem CID166982026
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(1E)-3,4-dinitrosocyclooctene
SMILESO=NC1/C=C\CCCCC1N=O
InChIInChI=1S/C8H12N2O2/c11-9-7-5-3-1-2-4-6-8(7)10-12/h3,5,7-8H,1-2,4,6H2/b5-3-
InChIKeyFVPVOFHTVOYROZ-HYXAFXHYSA-N
XLogP2.39
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-2-nitrosocyclopentan-1-ol
CID 89129973
cis-(1S,2R)-2-nitrosocyclohexan-1-ol
CID 89395534
(1Z)-3-methylcyclodecene
CID 6430931
(1Z)-3-methylcyclooctene
CID 5352586
(1E)-3-methylcyclodecene
CID 5352563
3-methylcycloundecene
CID 54531806
(1Z)-3-methylcyclopentadecene
CID 140520640
ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene
CID 143054449
ethane;3-methylcyclohexene
CID 145337562
3-nitrosocyclopentene
CID 147584765
cyclohept-2-ene-1-carboxylic acid
CID 10606834
cyclonon-2-en-1-ol;nitric acid
CID 71400030

Frequently Asked Questions

What is the IUPAC name of (1E)-3,4-dinitrosocyclooctene?
The IUPAC name of (1E)-3,4-dinitrosocyclooctene (CID 166982026) is (1E)-3,4-dinitrosocyclooctene.
What is the SMILES notation for (1E)-3,4-dinitrosocyclooctene?
The canonical SMILES for (1E)-3,4-dinitrosocyclooctene is O=NC1/C=C\CCCCC1N=O.
What is the InChIKey of (1E)-3,4-dinitrosocyclooctene?
The InChIKey is FVPVOFHTVOYROZ-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-9-7-5-3-1-2-4-6-8(7)10-12/h3,5,7-8H,1-2,4,6H2/b5-3-.
What are the key properties of (1E)-3,4-dinitrosocyclooctene?
(1E)-3,4-dinitrosocyclooctene has a molecular weight of 168.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3,4-dinitrosocyclooctene is sourced from PubChem (CID 166982026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).