furan-2,5-dione;2-methylidenepentanedioic acid

C10H10O7 — CID 160970386

IUPACfuran-2,5-dione;2-methylidenepentanedioic acid
SMILESC=C(CCC(=O)O)C(=O)O.O=C1C=CC(=O)O1
InChIInChI=1S/C6H8O4.C4H2O3/c1-4(6(9)10)2-3-5(7)8;5-3-1-2-4(6)7-3/h1-3H2,(H,7,8)(H,9,10);1-2H
InChIKeySYEDRHHJXXPIPV-UHFFFAOYSA-N
MW242.18 g/mol
LogP0.12
Rot. Bonds4

About furan-2,5-dione;2-methylidenepentanedioic acid

furan-2,5-dione;2-methylidenepentanedioic acid (PubChem CID 160970386) has the molecular formula C10H10O7 and a molecular weight of 242.18 g/mol. Its IUPAC name is furan-2,5-dione;2-methylidenepentanedioic acid.

Molecular Properties

Compound Namefuran-2,5-dione;2-methylidenepentanedioic acid
PubChem CID160970386
Molecular FormulaC10H10O7
Molecular Weight242.18 g/mol
Exact Mass242.04
IUPAC Namefuran-2,5-dione;2-methylidenepentanedioic acid
SMILESC=C(CCC(=O)O)C(=O)O.O=C1C=CC(=O)O1
InChIInChI=1S/C6H8O4.C4H2O3/c1-4(6(9)10)2-3-5(7)8;5-3-1-2-4(6)7-3/h1-3H2,(H,7,8)(H,9,10);1-2H
InChIKeySYEDRHHJXXPIPV-UHFFFAOYSA-N
XLogP0.12
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylidenepentanedioic acid
CID 88647821
furan-2,5-dione;2-methylidenebutanoic acid
CID 87835686
2-methylidenehexanedioic acid;2-methylidenepentanedioic acid
CID 87602044
butanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione
CID 88728346
but-2-enedioic acid;furan-2,5-dione;2-methylbut-2-enedioic acid;2-methylidenebutanedioic acid
CID 157215300
5-hydroxy-2-methylidenehex-5-enoic acid
CID 87089770
butanedioic acid;zinc;dihydrate
CID 175420905
butanedioic acid;zinc;dihydrate
CID 175091968
CID 172698071
CID 172698071
furan-2,5-dione;propan-2-one
CID 18405815
furan-2,5-dione;2-phenylacetic acid
CID 174828276
furan-2,5-dione;2-methylbut-2-enoic acid
CID 173069804

Frequently Asked Questions

What is the IUPAC name of furan-2,5-dione;2-methylidenepentanedioic acid?
The IUPAC name of furan-2,5-dione;2-methylidenepentanedioic acid (CID 160970386) is furan-2,5-dione;2-methylidenepentanedioic acid.
What is the SMILES notation for furan-2,5-dione;2-methylidenepentanedioic acid?
The canonical SMILES for furan-2,5-dione;2-methylidenepentanedioic acid is C=C(CCC(=O)O)C(=O)O.O=C1C=CC(=O)O1.
What is the InChIKey of furan-2,5-dione;2-methylidenepentanedioic acid?
The InChIKey is SYEDRHHJXXPIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4.C4H2O3/c1-4(6(9)10)2-3-5(7)8;5-3-1-2-4(6)7-3/h1-3H2,(H,7,8)(H,9,10);1-2H.
What are the key properties of furan-2,5-dione;2-methylidenepentanedioic acid?
furan-2,5-dione;2-methylidenepentanedioic acid has a molecular weight of 242.18 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,5-dione;2-methylidenepentanedioic acid is sourced from PubChem (CID 160970386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).