lithium 1,2,3,4-tetrahydropyridin-6-olate

C5H8LiNO — CID 21364239

IUPAClithium 1,2,3,4-tetrahydropyridin-6-olate
SMILES[Li+].[O-]C1=CCCCN1
InChIInChI=1S/C5H9NO.Li/c7-5-3-1-2-4-6-5;/h3,6-7H,1-2,4H2;/q;+1/p-1
InChIKeyIZRRQWQQVNEMPS-UHFFFAOYSA-M
MW105.07 g/mol
LogP-3.42
Rot. Bonds

About lithium 1,2,3,4-tetrahydropyridin-6-olate

lithium 1,2,3,4-tetrahydropyridin-6-olate (PubChem CID 21364239) has the molecular formula C5H8LiNO and a molecular weight of 105.07 g/mol. Its IUPAC name is lithium 1,2,3,4-tetrahydropyridin-6-olate.

Molecular Properties

Compound Namelithium 1,2,3,4-tetrahydropyridin-6-olate
PubChem CID21364239
Molecular FormulaC5H8LiNO
Molecular Weight105.07 g/mol
Exact Mass105.08
IUPAC Namelithium 1,2,3,4-tetrahydropyridin-6-olate
SMILES[Li+].[O-]C1=CCCCN1
InChIInChI=1S/C5H9NO.Li/c7-5-3-1-2-4-6-5;/h3,6-7H,1-2,4H2;/q;+1/p-1
InChIKeyIZRRQWQQVNEMPS-UHFFFAOYSA-M
XLogP-3.42
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.07
LogP ≤ 5-3.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Hydroxytetrahydropyridine
CID 21364240
6-Methoxy-1,2,3,4-tetrahydropyridine
CID 55286086
Sodiocaprolactam
CID 129802220
lithium 1-tritio-3,4-dihydro-2H-pyridin-6-olate
CID 59100163
6-(Iodomethoxy)-1,2,3,4-tetrahydropyridine
CID 138500253
1-tritio-3,4-dihydro-2H-pyridin-6-ol
CID 59100164

Frequently Asked Questions

What is the IUPAC name of lithium 1,2,3,4-tetrahydropyridin-6-olate?
The IUPAC name of lithium 1,2,3,4-tetrahydropyridin-6-olate (CID 21364239) is lithium 1,2,3,4-tetrahydropyridin-6-olate.
What is the SMILES notation for lithium 1,2,3,4-tetrahydropyridin-6-olate?
The canonical SMILES for lithium 1,2,3,4-tetrahydropyridin-6-olate is [Li+].[O-]C1=CCCCN1.
What is the InChIKey of lithium 1,2,3,4-tetrahydropyridin-6-olate?
The InChIKey is IZRRQWQQVNEMPS-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9NO.Li/c7-5-3-1-2-4-6-5;/h3,6-7H,1-2,4H2;/q;+1/p-1.
What are the key properties of lithium 1,2,3,4-tetrahydropyridin-6-olate?
lithium 1,2,3,4-tetrahydropyridin-6-olate has a molecular weight of 105.07 g/mol, XLogP of -3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2,3,4-tetrahydropyridin-6-olate is sourced from PubChem (CID 21364239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).