lithium 2,5-dimethylfuran-3-carboxylate

C7H7LiO3 — CID 58078185

IUPAClithium 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)[O-])c(C)o1.[Li+]
InChIInChI=1S/C7H8O3.Li/c1-4-3-6(7(8)9)5(2)10-4;/h3H,1-2H3,(H,8,9);/q;+1/p-1
InChIKeyVCFJHWXDENYMTM-UHFFFAOYSA-M
MW146.07 g/mol
LogP-2.74
Rot. Bonds1

About lithium 2,5-dimethylfuran-3-carboxylate

lithium 2,5-dimethylfuran-3-carboxylate (PubChem CID 58078185) has the molecular formula C7H7LiO3 and a molecular weight of 146.07 g/mol. Its IUPAC name is lithium 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namelithium 2,5-dimethylfuran-3-carboxylate
PubChem CID58078185
Molecular FormulaC7H7LiO3
Molecular Weight146.07 g/mol
Exact Mass146.06
IUPAC Namelithium 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)[O-])c(C)o1.[Li+]
InChIInChI=1S/C7H8O3.Li/c1-4-3-6(7(8)9)5(2)10-4;/h3H,1-2H3,(H,8,9);/q;+1/p-1
InChIKeyVCFJHWXDENYMTM-UHFFFAOYSA-M
XLogP-2.74
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.07
LogP ≤ 5-2.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 66561816
CID 66561816
5-tert-butyl-2-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 3482324
1-(2,5-dimethylfuran-3-yl)-2-(methylamino)ethanone
CID 96737699
N-methoxy-2,5-dimethylfuran-3-carboxamide
CID 60716938
(2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride
CID 70634748
methyl 3-(2,5-dimethylfuran-3-yl)-3-oxopropanoate
CID 79679462
2,5-dimethylfuran-3-carbonyl isothiocyanate
CID 15082556
(2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone
CID 131181698
5-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 4226340
methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate
CID 3858480
2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide
CID 18712127
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213

Frequently Asked Questions

What is the IUPAC name of lithium 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of lithium 2,5-dimethylfuran-3-carboxylate (CID 58078185) is lithium 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for lithium 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for lithium 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)[O-])c(C)o1.[Li+].
What is the InChIKey of lithium 2,5-dimethylfuran-3-carboxylate?
The InChIKey is VCFJHWXDENYMTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O3.Li/c1-4-3-6(7(8)9)5(2)10-4;/h3H,1-2H3,(H,8,9);/q;+1/p-1.
What are the key properties of lithium 2,5-dimethylfuran-3-carboxylate?
lithium 2,5-dimethylfuran-3-carboxylate has a molecular weight of 146.07 g/mol, XLogP of -2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 58078185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).