dilithium;6-methoxy-2-methyl-3-oxo-1,4-dihydroisoindol-4-id-1-olate

C10H9Li2NO3 — CID 139217731

IUPACdilithium;6-methoxy-2-methyl-3-oxo-1,4-dihydroisoindol-4-id-1-olate
SMILESCOc1c[c-]c2c(c1)C([O-])N(C)C2=O.[Li+].[Li+]
InChIInChI=1S/C10H9NO3.2Li/c1-11-9(12)7-4-3-6(14-2)5-8(7)10(11)13;;/h3,5,10H,1-2H3;;/q-2;2*+1
InChIKeyQRQQVRUBUPJEMO-UHFFFAOYSA-N
MW205.07 g/mol
LogP-6.05
Rot. Bonds1

About dilithium;6-methoxy-2-methyl-3-oxo-1,4-dihydroisoindol-4-id-1-olate

dilithium;6-methoxy-2-methyl-3-oxo-1,4-dihydroisoindol-4-id-1-olate (PubChem CID 139217731) has the molecular formula C10H9Li2NO3 and a molecular weight of 205.07 g/mol. Its IUPAC name is dilithium;6-methoxy-2-methyl-3-oxo-1,4-dihydroisoindol-4-id-1-olate.

Molecular Properties

Compound Namedilithium;6-methoxy-2-methyl-3-oxo-1,4-dihydroisoindol-4-id-1-olate
PubChem CID139217731
Molecular FormulaC10H9Li2NO3
Molecular Weight205.07 g/mol
Exact Mass205.09
IUPAC Namedilithium;6-methoxy-2-methyl-3-oxo-1,4-dihydroisoindol-4-id-1-olate
SMILESCOc1c[c-]c2c(c1)C([O-])N(C)C2=O.[Li+].[Li+]
InChIInChI=1S/C10H9NO3.2Li/c1-11-9(12)7-4-3-6(14-2)5-8(7)10(11)13;;/h3,5,10H,1-2H3;;/q-2;2*+1
InChIKeyQRQQVRUBUPJEMO-UHFFFAOYSA-N
XLogP-6.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 5-6.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dilithium;6-methoxy-2-methyl-3-oxo-1,4-dihydroisoindol-4-id-1-olate with MolForge

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Related Compounds

lithium N,N-diethyl-2-methoxybenzene-6-ide-1-carboxamide
CID 12460624
4-(fluoromethyl)-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-2H-pyrrol-5-one
CID 143990218
5,7-Dimethylfuro[3,2-c]pyridin-6-one
CID 59284003
2,5,7-Trimethylfuro[3,2-c]pyridin-6-one
CID 59284042
2,4,6-Trimethylfuro[2,3-c]pyridin-5-one
CID 59284183
4,6-Dimethylfuro[2,3-c]pyridin-5-one
CID 59284237
3,5,7-Trimethylfuro[3,2-c]pyridin-6-one
CID 59284266
1-[5-(2,3-dihydrofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
CID 139520082
4-[(1E)-2-methoxy-3-methylbuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one;prop-1-ene
CID 145325859
lithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-6-ide-1-carboxamide
CID 10264339
Lithium 2-(diethylcarbamoyl)-6-methoxybenzen-1-ide
CID 12460623
lithium N,N-diethyl-4-methoxy-2-propan-2-ylbenzene-5-ide-1-carboxamide
CID 23691165

Frequently Asked Questions

What is the IUPAC name of dilithium;6-methoxy-2-methyl-3-oxo-1,4-dihydroisoindol-4-id-1-olate?
The IUPAC name of dilithium;6-methoxy-2-methyl-3-oxo-1,4-dihydroisoindol-4-id-1-olate (CID 139217731) is dilithium;6-methoxy-2-methyl-3-oxo-1,4-dihydroisoindol-4-id-1-olate.
What is the SMILES notation for dilithium;6-methoxy-2-methyl-3-oxo-1,4-dihydroisoindol-4-id-1-olate?
The canonical SMILES for dilithium;6-methoxy-2-methyl-3-oxo-1,4-dihydroisoindol-4-id-1-olate is COc1c[c-]c2c(c1)C([O-])N(C)C2=O.[Li+].[Li+].
What is the InChIKey of dilithium;6-methoxy-2-methyl-3-oxo-1,4-dihydroisoindol-4-id-1-olate?
The InChIKey is QRQQVRUBUPJEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3.2Li/c1-11-9(12)7-4-3-6(14-2)5-8(7)10(11)13;;/h3,5,10H,1-2H3;;/q-2;2*+1.
What are the key properties of dilithium;6-methoxy-2-methyl-3-oxo-1,4-dihydroisoindol-4-id-1-olate?
dilithium;6-methoxy-2-methyl-3-oxo-1,4-dihydroisoindol-4-id-1-olate has a molecular weight of 205.07 g/mol, XLogP of -6.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;6-methoxy-2-methyl-3-oxo-1,4-dihydroisoindol-4-id-1-olate is sourced from PubChem (CID 139217731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).