lithium 6-(dimethylaminomethylidene)-4-methylcyclohexa-2,4-dien-1-olate

C10H14LiNO — CID 86750153

IUPAClithium 6-(dimethylaminomethylidene)-4-methylcyclohexa-2,4-dien-1-olate
SMILESCC1=CC(=CN(C)C)C([O-])C=C1.[Li+]
InChIInChI=1S/C10H14NO.Li/c1-8-4-5-10(12)9(6-8)7-11(2)3;/h4-7,10H,1-3H3;/q-1;+1
InChIKeyWQAMLTBRXSWMJW-UHFFFAOYSA-N
MW171.17 g/mol
LogP-2.32
Rot. Bonds1

About lithium 6-(dimethylaminomethylidene)-4-methylcyclohexa-2,4-dien-1-olate

lithium 6-(dimethylaminomethylidene)-4-methylcyclohexa-2,4-dien-1-olate (PubChem CID 86750153) has the molecular formula C10H14LiNO and a molecular weight of 171.17 g/mol. Its IUPAC name is lithium 6-(dimethylaminomethylidene)-4-methylcyclohexa-2,4-dien-1-olate.

Molecular Properties

Compound Namelithium 6-(dimethylaminomethylidene)-4-methylcyclohexa-2,4-dien-1-olate
PubChem CID86750153
Molecular FormulaC10H14LiNO
Molecular Weight171.17 g/mol
Exact Mass171.12
IUPAC Namelithium 6-(dimethylaminomethylidene)-4-methylcyclohexa-2,4-dien-1-olate
SMILESCC1=CC(=CN(C)C)C([O-])C=C1.[Li+]
InChIInChI=1S/C10H14NO.Li/c1-8-4-5-10(12)9(6-8)7-11(2)3;/h4-7,10H,1-3H3;/q-1;+1
InChIKeyWQAMLTBRXSWMJW-UHFFFAOYSA-N
XLogP-2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 5-2.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium 6-(dimethylaminomethylidene)-4-methylcyclohexa-2,4-dien-1-olate?
The IUPAC name of lithium 6-(dimethylaminomethylidene)-4-methylcyclohexa-2,4-dien-1-olate (CID 86750153) is lithium 6-(dimethylaminomethylidene)-4-methylcyclohexa-2,4-dien-1-olate.
What is the SMILES notation for lithium 6-(dimethylaminomethylidene)-4-methylcyclohexa-2,4-dien-1-olate?
The canonical SMILES for lithium 6-(dimethylaminomethylidene)-4-methylcyclohexa-2,4-dien-1-olate is CC1=CC(=CN(C)C)C([O-])C=C1.[Li+].
What is the InChIKey of lithium 6-(dimethylaminomethylidene)-4-methylcyclohexa-2,4-dien-1-olate?
The InChIKey is WQAMLTBRXSWMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO.Li/c1-8-4-5-10(12)9(6-8)7-11(2)3;/h4-7,10H,1-3H3;/q-1;+1.
What are the key properties of lithium 6-(dimethylaminomethylidene)-4-methylcyclohexa-2,4-dien-1-olate?
lithium 6-(dimethylaminomethylidene)-4-methylcyclohexa-2,4-dien-1-olate has a molecular weight of 171.17 g/mol, XLogP of -2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6-(dimethylaminomethylidene)-4-methylcyclohexa-2,4-dien-1-olate is sourced from PubChem (CID 86750153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).