(Z)-3-nitrohex-3-ene

C6H11NO2 — CID 5284432

IUPAC(Z)-3-nitrohex-3-ene
SMILESCC/C=C(/CC)[N+](=O)[O-]
InChIInChI=1S/C6H11NO2/c1-3-5-6(4-2)7(8)9/h5H,3-4H2,1-2H3/b6-5-
InChIKeyLDKGEUAGEISBIX-WAYWQWQTSA-N
MW129.16 g/mol
LogP1.97
Rot. Bonds3

About (Z)-3-nitrohex-3-ene

(Z)-3-nitrohex-3-ene (PubChem CID 5284432) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (Z)-3-nitrohex-3-ene.

Molecular Properties

Compound Name(Z)-3-nitrohex-3-ene
PubChem CID5284432
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(Z)-3-nitrohex-3-ene
SMILESCC/C=C(/CC)[N+](=O)[O-]
InChIInChI=1S/C6H11NO2/c1-3-5-6(4-2)7(8)9/h5H,3-4H2,1-2H3/b6-5-
InChIKeyLDKGEUAGEISBIX-WAYWQWQTSA-N
XLogP1.97
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-nitrohex-3-ene?
The IUPAC name of (Z)-3-nitrohex-3-ene (CID 5284432) is (Z)-3-nitrohex-3-ene.
What is the SMILES notation for (Z)-3-nitrohex-3-ene?
The canonical SMILES for (Z)-3-nitrohex-3-ene is CC/C=C(/CC)[N+](=O)[O-].
What is the InChIKey of (Z)-3-nitrohex-3-ene?
The InChIKey is LDKGEUAGEISBIX-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5-6(4-2)7(8)9/h5H,3-4H2,1-2H3/b6-5-.
What are the key properties of (Z)-3-nitrohex-3-ene?
(Z)-3-nitrohex-3-ene has a molecular weight of 129.16 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-nitrohex-3-ene is sourced from PubChem (CID 5284432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).