methane;2-methylidenebutanedioic acid

C6H10O4 — CID 158038738

IUPACmethane;2-methylidenebutanedioic acid
SMILESC.C=C(CC(=O)O)C(=O)O
InChIInChI=1S/C5H6O4.CH4/c1-3(5(8)9)2-4(6)7;/h1-2H2,(H,6,7)(H,8,9);1H4
InChIKeyIAQNXQMFAQLTBE-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.74
Rot. Bonds3

About methane;2-methylidenebutanedioic acid

methane;2-methylidenebutanedioic acid (PubChem CID 158038738) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is methane;2-methylidenebutanedioic acid.

Molecular Properties

Compound Namemethane;2-methylidenebutanedioic acid
PubChem CID158038738
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Namemethane;2-methylidenebutanedioic acid
SMILESC.C=C(CC(=O)O)C(=O)O
InChIInChI=1S/C5H6O4.CH4/c1-3(5(8)9)2-4(6)7;/h1-2H2,(H,6,7)(H,8,9);1H4
InChIKeyIAQNXQMFAQLTBE-UHFFFAOYSA-N
XLogP0.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylidenebutanedioic acid;zirconium
CID 158245785
potassium;sodium;hydride;2-methylidenebutanedioic acid
CID 174838643
acetylene;2-methylidenebutanedioic acid;urea
CID 157377951
2-methylidenebutanedioic acid;trimethylazanium;chloride
CID 157060052
2-methylidenebutanedioic acid;sulfamic acid
CID 161051365
ethenoxyethene;2-methylidenebutanedioic acid
CID 159680731
2-methylbuta-1,3-diene;2-methylidenebutanedioic acid
CID 162113299
ethene;ethenoxyethene;2-methylidenebutanedioic acid
CID 173139326
4-hydroxy-3-methylidenepent-4-enoic acid
CID 89312002
cycloheptylcycloheptane;2-methylidenebutanedioic acid
CID 175019086
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylidenebutanedioic acid
CID 159631548
2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate
CID 18995564

Frequently Asked Questions

What is the IUPAC name of methane;2-methylidenebutanedioic acid?
The IUPAC name of methane;2-methylidenebutanedioic acid (CID 158038738) is methane;2-methylidenebutanedioic acid.
What is the SMILES notation for methane;2-methylidenebutanedioic acid?
The canonical SMILES for methane;2-methylidenebutanedioic acid is C.C=C(CC(=O)O)C(=O)O.
What is the InChIKey of methane;2-methylidenebutanedioic acid?
The InChIKey is IAQNXQMFAQLTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4.CH4/c1-3(5(8)9)2-4(6)7;/h1-2H2,(H,6,7)(H,8,9);1H4.
What are the key properties of methane;2-methylidenebutanedioic acid?
methane;2-methylidenebutanedioic acid has a molecular weight of 146.14 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylidenebutanedioic acid is sourced from PubChem (CID 158038738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).