[(Z)-2-nitrobut-1-enyl]cyclohexane

C10H17NO2 — CID 23245189

IUPAC[(Z)-2-nitrobut-1-enyl]cyclohexane
SMILESCC/C(=C/C1CCCCC1)[N+](=O)[O-]
InChIInChI=1S/C10H17NO2/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8-
InChIKeyNVEYADOYZZYKDQ-NTMALXAHSA-N
MW183.25 g/mol
LogP3.14
Rot. Bonds3

About [(Z)-2-nitrobut-1-enyl]cyclohexane

[(Z)-2-nitrobut-1-enyl]cyclohexane (PubChem CID 23245189) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is [(Z)-2-nitrobut-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-2-nitrobut-1-enyl]cyclohexane
PubChem CID23245189
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name[(Z)-2-nitrobut-1-enyl]cyclohexane
SMILESCC/C(=C/C1CCCCC1)[N+](=O)[O-]
InChIInChI=1S/C10H17NO2/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8-
InChIKeyNVEYADOYZZYKDQ-NTMALXAHSA-N
XLogP3.14
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.14
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)-2-nitrobut-1-enyl]cyclohexane?
The IUPAC name of [(Z)-2-nitrobut-1-enyl]cyclohexane (CID 23245189) is [(Z)-2-nitrobut-1-enyl]cyclohexane.
What is the SMILES notation for [(Z)-2-nitrobut-1-enyl]cyclohexane?
The canonical SMILES for [(Z)-2-nitrobut-1-enyl]cyclohexane is CC/C(=C/C1CCCCC1)[N+](=O)[O-].
What is the InChIKey of [(Z)-2-nitrobut-1-enyl]cyclohexane?
The InChIKey is NVEYADOYZZYKDQ-NTMALXAHSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8-.
What are the key properties of [(Z)-2-nitrobut-1-enyl]cyclohexane?
[(Z)-2-nitrobut-1-enyl]cyclohexane has a molecular weight of 183.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-nitrobut-1-enyl]cyclohexane is sourced from PubChem (CID 23245189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).