[(E)-2-nitroprop-1-enyl]cyclohexane

C9H15NO2 — CID 11819437

IUPAC[(E)-2-nitroprop-1-enyl]cyclohexane
SMILESC/C(=C\C1CCCCC1)[N+](=O)[O-]
InChIInChI=1S/C9H15NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3/b8-7+
InChIKeyFGOQMEFBZWBDIX-BQYQJAHWSA-N
MW169.22 g/mol
LogP2.75
Rot. Bonds2

About [(E)-2-nitroprop-1-enyl]cyclohexane

[(E)-2-nitroprop-1-enyl]cyclohexane (PubChem CID 11819437) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is [(E)-2-nitroprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-nitroprop-1-enyl]cyclohexane
PubChem CID11819437
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name[(E)-2-nitroprop-1-enyl]cyclohexane
SMILESC/C(=C\C1CCCCC1)[N+](=O)[O-]
InChIInChI=1S/C9H15NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3/b8-7+
InChIKeyFGOQMEFBZWBDIX-BQYQJAHWSA-N
XLogP2.75
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.75
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 [(E)-2-nitroprop-1-enyl]cyclohexane?
The IUPAC name of [(E)-2-nitroprop-1-enyl]cyclohexane (CID 11819437) is [(E)-2-nitroprop-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-2-nitroprop-1-enyl]cyclohexane?
The canonical SMILES for [(E)-2-nitroprop-1-enyl]cyclohexane is C/C(=C\C1CCCCC1)[N+](=O)[O-].
What is the InChIKey of [(E)-2-nitroprop-1-enyl]cyclohexane?
The InChIKey is FGOQMEFBZWBDIX-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3/b8-7+.
What are the key properties of [(E)-2-nitroprop-1-enyl]cyclohexane?
[(E)-2-nitroprop-1-enyl]cyclohexane has a molecular weight of 169.22 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-nitroprop-1-enyl]cyclohexane is sourced from PubChem (CID 11819437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).