lithium nitrocyclohexane

C6H10LiNO2 — CID 78061454

IUPAClithium nitrocyclohexane
SMILESO=[N+]([O-])C1[CH-]CCCC1.[Li+]
InChIInChI=1S/C6H10NO2.Li/c8-7(9)6-4-2-1-3-5-6;/h4,6H,1-3,5H2;/q-1;+1
InChIKeyFMWUIPXGEJPQAI-UHFFFAOYSA-N
MW135.09 g/mol
LogP-1.59
Rot. Bonds1

About lithium nitrocyclohexane

lithium nitrocyclohexane (PubChem CID 78061454) has the molecular formula C6H10LiNO2 and a molecular weight of 135.09 g/mol. Its IUPAC name is lithium nitrocyclohexane.

Molecular Properties

Compound Namelithium nitrocyclohexane
PubChem CID78061454
Molecular FormulaC6H10LiNO2
Molecular Weight135.09 g/mol
Exact Mass135.09
IUPAC Namelithium nitrocyclohexane
SMILESO=[N+]([O-])C1[CH-]CCCC1.[Li+]
InChIInChI=1S/C6H10NO2.Li/c8-7(9)6-4-2-1-3-5-6;/h4,6H,1-3,5H2;/q-1;+1
InChIKeyFMWUIPXGEJPQAI-UHFFFAOYSA-N
XLogP-1.59
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.09
LogP ≤ 5-1.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 lithium nitrocyclohexane?
The IUPAC name of lithium nitrocyclohexane (CID 78061454) is lithium nitrocyclohexane.
What is the SMILES notation for lithium nitrocyclohexane?
The canonical SMILES for lithium nitrocyclohexane is O=[N+]([O-])C1[CH-]CCCC1.[Li+].
What is the InChIKey of lithium nitrocyclohexane?
The InChIKey is FMWUIPXGEJPQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO2.Li/c8-7(9)6-4-2-1-3-5-6;/h4,6H,1-3,5H2;/q-1;+1.
What are the key properties of lithium nitrocyclohexane?
lithium nitrocyclohexane has a molecular weight of 135.09 g/mol, XLogP of -1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium nitrocyclohexane is sourced from PubChem (CID 78061454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).