hydron;2-methylidenebutanedioate

C5H6O4 — CID 118343040

IUPAChydron;2-methylidenebutanedioate
SMILESC=C(CC(=O)[O-])C(=O)[O-].[H+].[H+]
InChIInChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
InChIKeyLVHBHZANLOWSRM-UHFFFAOYSA-N
MW130.10 g/mol
LogP-2.34
Rot. Bonds3

About hydron;2-methylidenebutanedioate

hydron;2-methylidenebutanedioate (PubChem CID 118343040) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is hydron;2-methylidenebutanedioate.

Molecular Properties

Compound Namehydron;2-methylidenebutanedioate
PubChem CID118343040
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Namehydron;2-methylidenebutanedioate
SMILESC=C(CC(=O)[O-])C(=O)[O-].[H+].[H+]
InChIInChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
InChIKeyLVHBHZANLOWSRM-UHFFFAOYSA-N
XLogP-2.34
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydron;2-methylidenebutanedioate?
The IUPAC name of hydron;2-methylidenebutanedioate (CID 118343040) is hydron;2-methylidenebutanedioate.
What is the SMILES notation for hydron;2-methylidenebutanedioate?
The canonical SMILES for hydron;2-methylidenebutanedioate is C=C(CC(=O)[O-])C(=O)[O-].[H+].[H+].
What is the InChIKey of hydron;2-methylidenebutanedioate?
The InChIKey is LVHBHZANLOWSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9).
What are the key properties of hydron;2-methylidenebutanedioate?
hydron;2-methylidenebutanedioate has a molecular weight of 130.10 g/mol, XLogP of -2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-methylidenebutanedioate is sourced from PubChem (CID 118343040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).