sodium;furan-2,5-dione;prop-2-enoate

C7H5NaO5 — CID 23684593

IUPACsodium;furan-2,5-dione;prop-2-enoate
SMILESC=CC(=O)[O-].O=C1C=CC(=O)O1.[Na+]
InChIInChI=1S/C4H2O3.C3H4O2.Na/c5-3-1-2-4(6)7-3;1-2-3(4)5;/h1-2H;2H,1H2,(H,4,5);/q;;+1/p-1
InChIKeyLDLISKWWEPKHAT-UHFFFAOYSA-M
MW192.10 g/mol
LogP-4.45
Rot. Bonds1

About sodium;furan-2,5-dione;prop-2-enoate

sodium;furan-2,5-dione;prop-2-enoate (PubChem CID 23684593) has the molecular formula C7H5NaO5 and a molecular weight of 192.10 g/mol. Its IUPAC name is sodium;furan-2,5-dione;prop-2-enoate.

Molecular Properties

Compound Namesodium;furan-2,5-dione;prop-2-enoate
PubChem CID23684593
Molecular FormulaC7H5NaO5
Molecular Weight192.10 g/mol
Exact Mass192.00
IUPAC Namesodium;furan-2,5-dione;prop-2-enoate
SMILESC=CC(=O)[O-].O=C1C=CC(=O)O1.[Na+]
InChIInChI=1S/C4H2O3.C3H4O2.Na/c5-3-1-2-4(6)7-3;1-2-3(4)5;/h1-2H;2H,1H2,(H,4,5);/q;;+1/p-1
InChIKeyLDLISKWWEPKHAT-UHFFFAOYSA-M
XLogP-4.45
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 5-4.45
H-Bond Donors ≤ 50
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

lithium;furan-2,5-dione;prop-2-enenitrile;prop-2-enoate
CID 175430507
CID 172698071
CID 172698071
N,N-dimethylprop-2-enamide;furan-2,5-dione
CID 131984550
ethenylsilane;furan-2,5-dione
CID 160806423
furan-2,5-dione;tetrakis(prop-1-ene)
CID 90659509
disodium;furan-2,5-dione;hydride
CID 174894617
furan-2,5-dione;propan-2-one
CID 18405815
prop-2-enoate;tin(4+)
CID 22321076
europium(2+);bis(prop-2-enoate)
CID 19816716
cobalt(2+);prop-2-enoate
CID 22476955
1-aminoethyl prop-2-enoate;furan-2,5-dione
CID 87091433
barium(2+);lead(2+);tetrakis(prop-2-enoate)
CID 159431498

Frequently Asked Questions

What is the IUPAC name of sodium;furan-2,5-dione;prop-2-enoate?
The IUPAC name of sodium;furan-2,5-dione;prop-2-enoate (CID 23684593) is sodium;furan-2,5-dione;prop-2-enoate.
What is the SMILES notation for sodium;furan-2,5-dione;prop-2-enoate?
The canonical SMILES for sodium;furan-2,5-dione;prop-2-enoate is C=CC(=O)[O-].O=C1C=CC(=O)O1.[Na+].
What is the InChIKey of sodium;furan-2,5-dione;prop-2-enoate?
The InChIKey is LDLISKWWEPKHAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H2O3.C3H4O2.Na/c5-3-1-2-4(6)7-3;1-2-3(4)5;/h1-2H;2H,1H2,(H,4,5);/q;;+1/p-1.
What are the key properties of sodium;furan-2,5-dione;prop-2-enoate?
sodium;furan-2,5-dione;prop-2-enoate has a molecular weight of 192.10 g/mol, XLogP of -4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;furan-2,5-dione;prop-2-enoate is sourced from PubChem (CID 23684593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).