(E)-but-2-enedioic acid;cyclopentanecarboxylic acid

C10H14O6 — CID 172845770

IUPAC(E)-but-2-enedioic acid;cyclopentanecarboxylic acid
SMILESO=C(O)/C=C/C(=O)O.O=C(O)C1CCCC1
InChIInChI=1S/C6H10O2.C4H4O4/c7-6(8)5-3-1-2-4-5;5-3(6)1-2-4(7)8/h5H,1-4H2,(H,7,8);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyXJYCRACQCXHRFT-WLHGVMLRSA-N
MW230.22 g/mol
LogP0.97
Rot. Bonds3

About (E)-but-2-enedioic acid;cyclopentanecarboxylic acid

(E)-but-2-enedioic acid;cyclopentanecarboxylic acid (PubChem CID 172845770) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;cyclopentanecarboxylic acid.

Molecular Properties

Compound Name(E)-but-2-enedioic acid;cyclopentanecarboxylic acid
PubChem CID172845770
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name(E)-but-2-enedioic acid;cyclopentanecarboxylic acid
SMILESO=C(O)/C=C/C(=O)O.O=C(O)C1CCCC1
InChIInChI=1S/C6H10O2.C4H4O4/c7-6(8)5-3-1-2-4-5;5-3(6)1-2-4(7)8/h5H,1-4H2,(H,7,8);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyXJYCRACQCXHRFT-WLHGVMLRSA-N
XLogP0.97
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopentanecarboxylic acid
CID 18840
cyclopentanecarboxylic acid;indigane
CID 173230713
cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469
cyclohexanecarboxylic acid;trihydrochloride
CID 67185988
cycloheptanecarboxylic acid;indigane
CID 173230239
cyclohexanecarboxylic acid;octahydrate
CID 175413747
CID 53471629
CID 53471629
lithium;cyclooctanecarboxylic acid;hydride
CID 173424430
cyclobutanecarboxylic acid;hydrofluoride
CID 161438543
chloromethane;cyclohexanecarboxylic acid
CID 160928112

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioic acid;cyclopentanecarboxylic acid?
The IUPAC name of (E)-but-2-enedioic acid;cyclopentanecarboxylic acid (CID 172845770) is (E)-but-2-enedioic acid;cyclopentanecarboxylic acid.
What is the SMILES notation for (E)-but-2-enedioic acid;cyclopentanecarboxylic acid?
The canonical SMILES for (E)-but-2-enedioic acid;cyclopentanecarboxylic acid is O=C(O)/C=C/C(=O)O.O=C(O)C1CCCC1.
What is the InChIKey of (E)-but-2-enedioic acid;cyclopentanecarboxylic acid?
The InChIKey is XJYCRACQCXHRFT-WLHGVMLRSA-N. The full InChI is InChI=1S/C6H10O2.C4H4O4/c7-6(8)5-3-1-2-4-5;5-3(6)1-2-4(7)8/h5H,1-4H2,(H,7,8);1-2H,(H,5,6)(H,7,8)/b;2-1+.
What are the key properties of (E)-but-2-enedioic acid;cyclopentanecarboxylic acid?
(E)-but-2-enedioic acid;cyclopentanecarboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;cyclopentanecarboxylic acid is sourced from PubChem (CID 172845770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).