1-ethyl-4-(nitromethylidene)cyclohexane

C9H15NO2 — CID 165449323

IUPAC1-ethyl-4-(nitromethylidene)cyclohexane
SMILESCCC1CCC(=C[N+](=O)[O-])CC1
InChIInChI=1S/C9H15NO2/c1-2-8-3-5-9(6-4-8)7-10(11)12/h7-8H,2-6H2,1H3/b9-7-
InChIKeyMKGOTHJYBDAFAE-CLFYSBASSA-N
MW169.22 g/mol
LogP2.75
Rot. Bonds2

About 1-ethyl-4-(nitromethylidene)cyclohexane

1-ethyl-4-(nitromethylidene)cyclohexane (PubChem CID 165449323) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-ethyl-4-(nitromethylidene)cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-(nitromethylidene)cyclohexane
PubChem CID165449323
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-ethyl-4-(nitromethylidene)cyclohexane
SMILESCCC1CCC(=C[N+](=O)[O-])CC1
InChIInChI=1S/C9H15NO2/c1-2-8-3-5-9(6-4-8)7-10(11)12/h7-8H,2-6H2,1H3/b9-7-
InChIKeyMKGOTHJYBDAFAE-CLFYSBASSA-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 1-ethyl-4-(nitromethylidene)cyclohexane?
The IUPAC name of 1-ethyl-4-(nitromethylidene)cyclohexane (CID 165449323) is 1-ethyl-4-(nitromethylidene)cyclohexane.
What is the SMILES notation for 1-ethyl-4-(nitromethylidene)cyclohexane?
The canonical SMILES for 1-ethyl-4-(nitromethylidene)cyclohexane is CCC1CCC(=C[N+](=O)[O-])CC1.
What is the InChIKey of 1-ethyl-4-(nitromethylidene)cyclohexane?
The InChIKey is MKGOTHJYBDAFAE-CLFYSBASSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-8-3-5-9(6-4-8)7-10(11)12/h7-8H,2-6H2,1H3/b9-7-.
What are the key properties of 1-ethyl-4-(nitromethylidene)cyclohexane?
1-ethyl-4-(nitromethylidene)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 1-ethyl-4-(nitromethylidene)cyclohexane is sourced from PubChem (CID 165449323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).