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

C7H7BrLiNO — CID 10846015

IUPAClithium 2-bromo-1-(cyanomethyl)cyclopent-2-en-1-olate
SMILESN#CCC1([O-])CCC=C1Br.[Li+]
InChIInChI=1S/C7H7BrNO.Li/c8-6-2-1-3-7(6,10)4-5-9;/h2H,1,3-4H2;/q-1;+1
InChIKeyVJVXQTXMSKLQOR-UHFFFAOYSA-N
MW207.98 g/mol
LogP-1.92
Rot. Bonds1

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

lithium 2-bromo-1-(cyanomethyl)cyclopent-2-en-1-olate (PubChem CID 10846015) has the molecular formula C7H7BrLiNO and a molecular weight of 207.98 g/mol. Its IUPAC name is lithium 2-bromo-1-(cyanomethyl)cyclopent-2-en-1-olate.

Molecular Properties

Compound Namelithium 2-bromo-1-(cyanomethyl)cyclopent-2-en-1-olate
PubChem CID10846015
Molecular FormulaC7H7BrLiNO
Molecular Weight207.98 g/mol
Exact Mass206.99
IUPAC Namelithium 2-bromo-1-(cyanomethyl)cyclopent-2-en-1-olate
SMILESN#CCC1([O-])CCC=C1Br.[Li+]
InChIInChI=1S/C7H7BrNO.Li/c8-6-2-1-3-7(6,10)4-5-9;/h2H,1,3-4H2;/q-1;+1
InChIKeyVJVXQTXMSKLQOR-UHFFFAOYSA-N
XLogP-1.92
TPSA46.85 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.98
LogP ≤ 5-1.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Bromo-1-hydroxycyclopent-2-en-1-yl)acetonitrile
CID 10774452

Frequently Asked Questions

What is the IUPAC name of lithium 2-bromo-1-(cyanomethyl)cyclopent-2-en-1-olate?
The IUPAC name of lithium 2-bromo-1-(cyanomethyl)cyclopent-2-en-1-olate (CID 10846015) is lithium 2-bromo-1-(cyanomethyl)cyclopent-2-en-1-olate.
What is the SMILES notation for lithium 2-bromo-1-(cyanomethyl)cyclopent-2-en-1-olate?
The canonical SMILES for lithium 2-bromo-1-(cyanomethyl)cyclopent-2-en-1-olate is N#CCC1([O-])CCC=C1Br.[Li+].
What is the InChIKey of lithium 2-bromo-1-(cyanomethyl)cyclopent-2-en-1-olate?
The InChIKey is VJVXQTXMSKLQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrNO.Li/c8-6-2-1-3-7(6,10)4-5-9;/h2H,1,3-4H2;/q-1;+1.
What are the key properties of lithium 2-bromo-1-(cyanomethyl)cyclopent-2-en-1-olate?
lithium 2-bromo-1-(cyanomethyl)cyclopent-2-en-1-olate has a molecular weight of 207.98 g/mol, XLogP of -1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-bromo-1-(cyanomethyl)cyclopent-2-en-1-olate is sourced from PubChem (CID 10846015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).