pent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid

C11H12O10 — CID 175202783

IUPACpent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid
SMILESO=C(O)C=C(CC(=O)O)C(=O)O.O=C(O)C=CCC(=O)O
InChIInChI=1S/C6H6O6.C5H6O4/c7-4(8)1-3(6(11)12)2-5(9)10;6-4(7)2-1-3-5(8)9/h1H,2H2,(H,7,8)(H,9,10)(H,11,12);1-2H,3H2,(H,6,7)(H,8,9)
InChIKeyNXKUPRUONKCOEC-UHFFFAOYSA-N
MW304.21 g/mol
LogP-0.34
Rot. Bonds7

About pent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid

pent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid (PubChem CID 175202783) has the molecular formula C11H12O10 and a molecular weight of 304.21 g/mol. Its IUPAC name is pent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namepent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid
PubChem CID175202783
Molecular FormulaC11H12O10
Molecular Weight304.21 g/mol
Exact Mass304.04
IUPAC Namepent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid
SMILESO=C(O)C=C(CC(=O)O)C(=O)O.O=C(O)C=CCC(=O)O
InChIInChI=1S/C6H6O6.C5H6O4/c7-4(8)1-3(6(11)12)2-5(9)10;6-4(7)2-1-3-5(8)9/h1H,2H2,(H,7,8)(H,9,10)(H,11,12);1-2H,3H2,(H,6,7)(H,8,9)
InChIKeyNXKUPRUONKCOEC-UHFFFAOYSA-N
XLogP-0.34
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

pent-2-enedioic acid
CID 87399612
hexa-2,4-dienoic acid;prop-1-ene-1,2,3-tricarboxylic acid
CID 88845188
cyclohexane;(E)-pent-2-enedioic acid
CID 174977639
benzene-1,3,5-tricarboxylic acid;prop-1-ene-1,2,3-tricarboxylic acid
CID 175105263
but-2-ene-1,2,4-tricarboxylic acid
CID 57041970
(Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid
CID 5280779
(Z)-3-(2-hydroxyacetyl)pent-2-enedioic acid
CID 163903255
(Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid
CID 134261232
(2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid
CID 163903254
benzenesulfonic acid;prop-1-ene-1,2,3-tricarboxylic acid
CID 175326169
(Z)-but-2-enedioic acid;propanedioic acid
CID 87190676
bis((E)-dodec-2-enedioic acid);2-propylidenebutanedioic acid
CID 162205900

Frequently Asked Questions

What is the IUPAC name of pent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid?
The IUPAC name of pent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid (CID 175202783) is pent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid.
What is the SMILES notation for pent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid?
The canonical SMILES for pent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid is O=C(O)C=C(CC(=O)O)C(=O)O.O=C(O)C=CCC(=O)O.
What is the InChIKey of pent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid?
The InChIKey is NXKUPRUONKCOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O6.C5H6O4/c7-4(8)1-3(6(11)12)2-5(9)10;6-4(7)2-1-3-5(8)9/h1H,2H2,(H,7,8)(H,9,10)(H,11,12);1-2H,3H2,(H,6,7)(H,8,9).
What are the key properties of pent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid?
pent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid has a molecular weight of 304.21 g/mol, XLogP of -0.34, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-enedioic acid;prop-1-ene-1,2,3-tricarboxylic acid is sourced from PubChem (CID 175202783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).