lithium 1-(cyanomethyl)cyclopent-2-en-1-olate

C7H8LiNO — CID 10558646

IUPAClithium 1-(cyanomethyl)cyclopent-2-en-1-olate
SMILESN#CCC1([O-])C=CCC1.[Li+]
InChIInChI=1S/C7H8NO.Li/c8-6-5-7(9)3-1-2-4-7;/h1,3H,2,4-5H2;/q-1;+1
InChIKeyAAUWJGNJULMFKN-UHFFFAOYSA-N
MW129.09 g/mol
LogP-2.65
Rot. Bonds1

About lithium 1-(cyanomethyl)cyclopent-2-en-1-olate

lithium 1-(cyanomethyl)cyclopent-2-en-1-olate (PubChem CID 10558646) has the molecular formula C7H8LiNO and a molecular weight of 129.09 g/mol. Its IUPAC name is lithium 1-(cyanomethyl)cyclopent-2-en-1-olate.

Molecular Properties

Compound Namelithium 1-(cyanomethyl)cyclopent-2-en-1-olate
PubChem CID10558646
Molecular FormulaC7H8LiNO
Molecular Weight129.09 g/mol
Exact Mass129.08
IUPAC Namelithium 1-(cyanomethyl)cyclopent-2-en-1-olate
SMILESN#CCC1([O-])C=CCC1.[Li+]
InChIInChI=1S/C7H8NO.Li/c8-6-5-7(9)3-1-2-4-7;/h1,3H,2,4-5H2;/q-1;+1
InChIKeyAAUWJGNJULMFKN-UHFFFAOYSA-N
XLogP-2.65
TPSA46.85 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.09
LogP ≤ 5-2.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1-Hydroxycyclopent-2-en-1-yl)acetonitrile
CID 10558647

Frequently Asked Questions

What is the IUPAC name of lithium 1-(cyanomethyl)cyclopent-2-en-1-olate?
The IUPAC name of lithium 1-(cyanomethyl)cyclopent-2-en-1-olate (CID 10558646) is lithium 1-(cyanomethyl)cyclopent-2-en-1-olate.
What is the SMILES notation for lithium 1-(cyanomethyl)cyclopent-2-en-1-olate?
The canonical SMILES for lithium 1-(cyanomethyl)cyclopent-2-en-1-olate is N#CCC1([O-])C=CCC1.[Li+].
What is the InChIKey of lithium 1-(cyanomethyl)cyclopent-2-en-1-olate?
The InChIKey is AAUWJGNJULMFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO.Li/c8-6-5-7(9)3-1-2-4-7;/h1,3H,2,4-5H2;/q-1;+1.
What are the key properties of lithium 1-(cyanomethyl)cyclopent-2-en-1-olate?
lithium 1-(cyanomethyl)cyclopent-2-en-1-olate has a molecular weight of 129.09 g/mol, XLogP of -2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(cyanomethyl)cyclopent-2-en-1-olate is sourced from PubChem (CID 10558646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).