(E)-2-cyclopentylbut-2-enedioic acid

C9H12O4 — CID 5355093

IUPAC(E)-2-cyclopentylbut-2-enedioic acid
SMILESO=C(O)/C=C(/C(=O)O)C1CCCC1
InChIInChI=1S/C9H12O4/c10-8(11)5-7(9(12)13)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,11)(H,12,13)/b7-5+
InChIKeyHIAWKQYYSCIRMU-FNORWQNLSA-N
MW184.19 g/mol
LogP1.27
Rot. Bonds3

About (E)-2-cyclopentylbut-2-enedioic acid

(E)-2-cyclopentylbut-2-enedioic acid (PubChem CID 5355093) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is (E)-2-cyclopentylbut-2-enedioic acid.

Molecular Properties

Compound Name(E)-2-cyclopentylbut-2-enedioic acid
PubChem CID5355093
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(E)-2-cyclopentylbut-2-enedioic acid
SMILESO=C(O)/C=C(/C(=O)O)C1CCCC1
InChIInChI=1S/C9H12O4/c10-8(11)5-7(9(12)13)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,11)(H,12,13)/b7-5+
InChIKeyHIAWKQYYSCIRMU-FNORWQNLSA-N
XLogP1.27
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.27
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

Perillic Acid
CID 1256
2,5-Norbornadiene-2,3-dicarboxylic acid
CID 139991
1-Cyclohexene-1-carboxylic acid
CID 69470
(S)-(-)-Perillic acid
CID 2724160
Perillic Acid (-)
CID 5702197
4-Methylcyclohex-1-ene-1-carboxylic acid
CID 219389
Cyclohept-1-ene-1-carboxylic acid
CID 12512566
Bicyclo(2.2.1)hept-2-ene-2-carboxylic acid
CID 281894
6-Methylcyclohex-1-ene-1-carboxylic acid
CID 10888002
4,7-Methano-1H-indene-2,6-dicarboxylic acid, 3a,4,7,7a-tetrahydro-
CID 27468962
5-Methylcyclopent-1-ene-1-carboxylic acid
CID 557307
1-Cycloundecene-1-carboxylic acid
CID 4060049

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyclopentylbut-2-enedioic acid?
The IUPAC name of (E)-2-cyclopentylbut-2-enedioic acid (CID 5355093) is (E)-2-cyclopentylbut-2-enedioic acid.
What is the SMILES notation for (E)-2-cyclopentylbut-2-enedioic acid?
The canonical SMILES for (E)-2-cyclopentylbut-2-enedioic acid is O=C(O)/C=C(/C(=O)O)C1CCCC1.
What is the InChIKey of (E)-2-cyclopentylbut-2-enedioic acid?
The InChIKey is HIAWKQYYSCIRMU-FNORWQNLSA-N. The full InChI is InChI=1S/C9H12O4/c10-8(11)5-7(9(12)13)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,11)(H,12,13)/b7-5+.
What are the key properties of (E)-2-cyclopentylbut-2-enedioic acid?
(E)-2-cyclopentylbut-2-enedioic acid has a molecular weight of 184.19 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclopentylbut-2-enedioic acid is sourced from PubChem (CID 5355093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).