lithium 2,3-dihydropyridin-1-id-6-one

C5H6LiNO — CID 56926409

IUPAClithium 2,3-dihydropyridin-1-id-6-one
SMILESO=C1C=CCC[N-]1.[Li+]
InChIInChI=1S/C5H7NO.Li/c7-5-3-1-2-4-6-5;/h1,3H,2,4H2,(H,6,7);/q;+1/p-1
InChIKeyFLEIGKGIIWZGDD-UHFFFAOYSA-M
MW103.05 g/mol
LogP-2.15
Rot. Bonds

About lithium 2,3-dihydropyridin-1-id-6-one

lithium 2,3-dihydropyridin-1-id-6-one (PubChem CID 56926409) has the molecular formula C5H6LiNO and a molecular weight of 103.05 g/mol. Its IUPAC name is lithium 2,3-dihydropyridin-1-id-6-one.

Molecular Properties

Compound Namelithium 2,3-dihydropyridin-1-id-6-one
PubChem CID56926409
Molecular FormulaC5H6LiNO
Molecular Weight103.05 g/mol
Exact Mass103.06
IUPAC Namelithium 2,3-dihydropyridin-1-id-6-one
SMILESO=C1C=CCC[N-]1.[Li+]
InChIInChI=1S/C5H7NO.Li/c7-5-3-1-2-4-6-5;/h1,3H,2,4H2,(H,6,7);/q;+1/p-1
InChIKeyFLEIGKGIIWZGDD-UHFFFAOYSA-M
XLogP-2.15
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.05
LogP ≤ 5-2.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium 2,3-dihydropyridin-1-id-6-one?
The IUPAC name of lithium 2,3-dihydropyridin-1-id-6-one (CID 56926409) is lithium 2,3-dihydropyridin-1-id-6-one.
What is the SMILES notation for lithium 2,3-dihydropyridin-1-id-6-one?
The canonical SMILES for lithium 2,3-dihydropyridin-1-id-6-one is O=C1C=CCC[N-]1.[Li+].
What is the InChIKey of lithium 2,3-dihydropyridin-1-id-6-one?
The InChIKey is FLEIGKGIIWZGDD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO.Li/c7-5-3-1-2-4-6-5;/h1,3H,2,4H2,(H,6,7);/q;+1/p-1.
What are the key properties of lithium 2,3-dihydropyridin-1-id-6-one?
lithium 2,3-dihydropyridin-1-id-6-one has a molecular weight of 103.05 g/mol, XLogP of -2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,3-dihydropyridin-1-id-6-one is sourced from PubChem (CID 56926409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).