4-nitrosocyclohexene

C6H9NO — CID 86185585

IUPAC4-nitrosocyclohexene
SMILESO=NC1CC=CCC1
InChIInChI=1S/C6H9NO/c8-7-6-4-2-1-3-5-6/h1-2,6H,3-5H2
InChIKeyFBNFOBIWBBBCRV-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.86
Rot. Bonds1

About 4-nitrosocyclohexene

4-nitrosocyclohexene (PubChem CID 86185585) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 4-nitrosocyclohexene.

Molecular Properties

Compound Name4-nitrosocyclohexene
PubChem CID86185585
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name4-nitrosocyclohexene
SMILESO=NC1CC=CCC1
InChIInChI=1S/C6H9NO/c8-7-6-4-2-1-3-5-6/h1-2,6H,3-5H2
InChIKeyFBNFOBIWBBBCRV-UHFFFAOYSA-N
XLogP1.86
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine
CID 101419683
cyclohex-3-en-1-ylmethyl nitrite
CID 131854414
3-nitrosocyclopentene
CID 147584765
N-cyclohex-3-en-1-yl-1,1-dioxo-1,2-benzothiazol-3-imine
CID 135996452
cyclohept-4-ene-1,2-dithiol
CID 175095549
nitrosocycloheptane
CID 54252877
ethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene
CID 91279361
1-[(1R)-cyclohex-3-en-1-yl]ethanone
CID 15562643
(3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid
CID 177407584
(1R)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983299
(1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983300
4-cyclopentylcyclohexene
CID 524571

Frequently Asked Questions

What is the IUPAC name of 4-nitrosocyclohexene?
The IUPAC name of 4-nitrosocyclohexene (CID 86185585) is 4-nitrosocyclohexene.
What is the SMILES notation for 4-nitrosocyclohexene?
The canonical SMILES for 4-nitrosocyclohexene is O=NC1CC=CCC1.
What is the InChIKey of 4-nitrosocyclohexene?
The InChIKey is FBNFOBIWBBBCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c8-7-6-4-2-1-3-5-6/h1-2,6H,3-5H2.
What are the key properties of 4-nitrosocyclohexene?
4-nitrosocyclohexene has a molecular weight of 111.14 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitrosocyclohexene is sourced from PubChem (CID 86185585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).