2-nitrohex-2-ene

C6H11NO2 — CID 22448

IUPAC2-nitrohex-2-ene
SMILESCCCC=C(C)[N+](=O)[O-]
InChIInChI=1S/C6H11NO2/c1-3-4-5-6(2)7(8)9/h5H,3-4H2,1-2H3
InChIKeyIPHWNDSKYDRUFO-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.97
Rot. Bonds3

About 2-nitrohex-2-ene

2-nitrohex-2-ene (PubChem CID 22448) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-nitrohex-2-ene.

Molecular Properties

Compound Name2-nitrohex-2-ene
PubChem CID22448
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-nitrohex-2-ene
SMILESCCCC=C(C)[N+](=O)[O-]
InChIInChI=1S/C6H11NO2/c1-3-4-5-6(2)7(8)9/h5H,3-4H2,1-2H3
InChIKeyIPHWNDSKYDRUFO-UHFFFAOYSA-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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Related Compounds

1-Nitrocyclohexene
CID 75713
3-Nitro-3-hexene
CID 20950
3-Nitro-3-octene
CID 6433465
4-Nonene, 5-nitro-
CID 5362749
(3Z)-3-nitrohex-3-ene
CID 5284432
4-Nonene, 4-nitro-
CID 6433419
2-Nonene, 2-nitro-
CID 6433420
3-Nonene, 4-nitro-
CID 6433460
4-Octene, 4-nitro-
CID 6433463
3-Octene, 4-nitro-
CID 6433464
4-Nitro-3-heptene
CID 6433468
2-Heptene, 3-nitro-
CID 6433469

Frequently Asked Questions

What is the IUPAC name of 2-nitrohex-2-ene?
The IUPAC name of 2-nitrohex-2-ene (CID 22448) is 2-nitrohex-2-ene.
What is the SMILES notation for 2-nitrohex-2-ene?
The canonical SMILES for 2-nitrohex-2-ene is CCCC=C(C)[N+](=O)[O-].
What is the InChIKey of 2-nitrohex-2-ene?
The InChIKey is IPHWNDSKYDRUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-4-5-6(2)7(8)9/h5H,3-4H2,1-2H3.
What are the key properties of 2-nitrohex-2-ene?
2-nitrohex-2-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 2-nitrohex-2-ene is sourced from PubChem (CID 22448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).