lithium;prop-2-enoate;prop-2-enoic acid

C6H7LiO4 — CID 90256429

IUPAClithium;prop-2-enoate;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(=O)[O-].[Li+]
InChIInChI=1S/2C3H4O2.Li/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+1/p-1
InChIKeyRSCQMCGZVWVYRB-UHFFFAOYSA-M
MW150.06 g/mol
LogP-3.82
Rot. Bonds2

About lithium;prop-2-enoate;prop-2-enoic acid

lithium;prop-2-enoate;prop-2-enoic acid (PubChem CID 90256429) has the molecular formula C6H7LiO4 and a molecular weight of 150.06 g/mol. Its IUPAC name is lithium;prop-2-enoate;prop-2-enoic acid.

Molecular Properties

Compound Namelithium;prop-2-enoate;prop-2-enoic acid
PubChem CID90256429
Molecular FormulaC6H7LiO4
Molecular Weight150.06 g/mol
Exact Mass150.05
IUPAC Namelithium;prop-2-enoate;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(=O)[O-].[Li+]
InChIInChI=1S/2C3H4O2.Li/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+1/p-1
InChIKeyRSCQMCGZVWVYRB-UHFFFAOYSA-M
XLogP-3.82
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.06
LogP ≤ 5-3.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

lithium;cobalt(2+);hydride;bis(prop-2-enoate)
CID 173125641
prop-2-enoate;tin(4+)
CID 22321076
europium(2+);bis(prop-2-enoate)
CID 19816716
cobalt(2+);prop-2-enoate
CID 22476955
prop-2-enoate sulfate
CID 18971000
barium(2+);lead(2+);tetrakis(prop-2-enoate)
CID 159431498
aluminum;bis(prop-2-enoate);chloride
CID 175698276
lutetium;tris(prop-2-enoic acid)
CID 168865611
bis(prop-2-enoic acid);hydrochloride
CID 88811054
CID 87061462
CID 87061462
cerium;bis(prop-2-enoic acid)
CID 169316659
iron(2+);prop-2-enoic acid
CID 10290804

Frequently Asked Questions

What is the IUPAC name of lithium;prop-2-enoate;prop-2-enoic acid?
The IUPAC name of lithium;prop-2-enoate;prop-2-enoic acid (CID 90256429) is lithium;prop-2-enoate;prop-2-enoic acid.
What is the SMILES notation for lithium;prop-2-enoate;prop-2-enoic acid?
The canonical SMILES for lithium;prop-2-enoate;prop-2-enoic acid is C=CC(=O)O.C=CC(=O)[O-].[Li+].
What is the InChIKey of lithium;prop-2-enoate;prop-2-enoic acid?
The InChIKey is RSCQMCGZVWVYRB-UHFFFAOYSA-M. The full InChI is InChI=1S/2C3H4O2.Li/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+1/p-1.
What are the key properties of lithium;prop-2-enoate;prop-2-enoic acid?
lithium;prop-2-enoate;prop-2-enoic acid has a molecular weight of 150.06 g/mol, XLogP of -3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;prop-2-enoate;prop-2-enoic acid is sourced from PubChem (CID 90256429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).