lithium 2-nitrocyclopentan-1-one

C5H7LiNO3+ — CID 23712210

IUPAClithium 2-nitrocyclopentan-1-one
SMILESO=C1CCCC1[N+](=O)[O-].[Li+]
InChIInChI=1S/C5H7NO3.Li/c7-5-3-1-2-4(5)6(8)9;/h4H,1-3H2;/q;+1
InChIKeyNNMIAXUGSYSIOD-UHFFFAOYSA-N
MW136.06 g/mol
LogP-2.61
Rot. Bonds1

About lithium 2-nitrocyclopentan-1-one

lithium 2-nitrocyclopentan-1-one (PubChem CID 23712210) has the molecular formula C5H7LiNO3+ and a molecular weight of 136.06 g/mol. Its IUPAC name is lithium 2-nitrocyclopentan-1-one.

Molecular Properties

Compound Namelithium 2-nitrocyclopentan-1-one
PubChem CID23712210
Molecular FormulaC5H7LiNO3+
Molecular Weight136.06 g/mol
Exact Mass136.06
IUPAC Namelithium 2-nitrocyclopentan-1-one
SMILESO=C1CCCC1[N+](=O)[O-].[Li+]
InChIInChI=1S/C5H7NO3.Li/c7-5-3-1-2-4(5)6(8)9;/h4H,1-3H2;/q;+1
InChIKeyNNMIAXUGSYSIOD-UHFFFAOYSA-N
XLogP-2.61
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.06
LogP ≤ 5-2.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 lithium 2-nitrocyclopentan-1-one?
The IUPAC name of lithium 2-nitrocyclopentan-1-one (CID 23712210) is lithium 2-nitrocyclopentan-1-one.
What is the SMILES notation for lithium 2-nitrocyclopentan-1-one?
The canonical SMILES for lithium 2-nitrocyclopentan-1-one is O=C1CCCC1[N+](=O)[O-].[Li+].
What is the InChIKey of lithium 2-nitrocyclopentan-1-one?
The InChIKey is NNMIAXUGSYSIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3.Li/c7-5-3-1-2-4(5)6(8)9;/h4H,1-3H2;/q;+1.
What are the key properties of lithium 2-nitrocyclopentan-1-one?
lithium 2-nitrocyclopentan-1-one has a molecular weight of 136.06 g/mol, XLogP of -2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-nitrocyclopentan-1-one is sourced from PubChem (CID 23712210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).