potassium 2-methylidenebutanoate

C5H7KO2 — CID 87611079

IUPACpotassium 2-methylidenebutanoate
SMILESC=C(CC)C(=O)[O-].[K+]
InChIInChI=1S/C5H8O2.K/c1-3-4(2)5(6)7;/h2-3H2,1H3,(H,6,7);/q;+1/p-1
InChIKeyGVCCCLIBNUDVJT-UHFFFAOYSA-M
MW138.21 g/mol
LogP-3.29
Rot. Bonds2

About potassium 2-methylidenebutanoate

potassium 2-methylidenebutanoate (PubChem CID 87611079) has the molecular formula C5H7KO2 and a molecular weight of 138.21 g/mol. Its IUPAC name is potassium 2-methylidenebutanoate.

Molecular Properties

Compound Namepotassium 2-methylidenebutanoate
PubChem CID87611079
Molecular FormulaC5H7KO2
Molecular Weight138.21 g/mol
Exact Mass138.01
IUPAC Namepotassium 2-methylidenebutanoate
SMILESC=C(CC)C(=O)[O-].[K+]
InChIInChI=1S/C5H8O2.K/c1-3-4(2)5(6)7;/h2-3H2,1H3,(H,6,7);/q;+1/p-1
InChIKeyGVCCCLIBNUDVJT-UHFFFAOYSA-M
XLogP-3.29
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 5-3.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylidenebutanoate;trimethylazanium;chloride
CID 23504332
2-methylidenebutanoate;2-methylprop-2-enoic acid
CID 22645756
zinc bis(2-methylidenehexanoate)
CID 122669315
lead(2+);bis(2-methylidenehexanoate)
CID 88789371
2-(fluoromethyl)prop-2-enoate
CID 18790386
propanoic acid;prop-1-en-2-olate
CID 172732515
2-methylidenebutanedioate;bis(rubidium(1+))
CID 18408060
propanoate;hydrate
CID 19032208
propanoate;tin(4+)
CID 167712674
propanoate;uranium(4+)
CID 51035197
CID 57352970
CID 57352970
europium(2+);propanoate
CID 88778777

Frequently Asked Questions

What is the IUPAC name of potassium 2-methylidenebutanoate?
The IUPAC name of potassium 2-methylidenebutanoate (CID 87611079) is potassium 2-methylidenebutanoate.
What is the SMILES notation for potassium 2-methylidenebutanoate?
The canonical SMILES for potassium 2-methylidenebutanoate is C=C(CC)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-methylidenebutanoate?
The InChIKey is GVCCCLIBNUDVJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8O2.K/c1-3-4(2)5(6)7;/h2-3H2,1H3,(H,6,7);/q;+1/p-1.
What are the key properties of potassium 2-methylidenebutanoate?
potassium 2-methylidenebutanoate has a molecular weight of 138.21 g/mol, XLogP of -3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-methylidenebutanoate is sourced from PubChem (CID 87611079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).