(Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid

C12H16O3 — CID 138978370

IUPAC(Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@H]1C=CC(=O)C1
InChIInChI=1S/C12H16O3/c13-11-8-7-10(9-11)5-3-1-2-4-6-12(14)15/h1,3,7-8,10H,2,4-6,9H2,(H,14,15)/b3-1-/t10-/m0/s1
InChIKeyUQANNBVPHUTKNI-OODOAVRDSA-N
MW208.26 g/mol
LogP2.33
Rot. Bonds6

About (Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid

(Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid (PubChem CID 138978370) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
PubChem CID138978370
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@H]1C=CC(=O)C1
InChIInChI=1S/C12H16O3/c13-11-8-7-10(9-11)5-3-1-2-4-6-12(14)15/h1,3,7-8,10H,2,4-6,9H2,(H,14,15)/b3-1-/t10-/m0/s1
InChIKeyUQANNBVPHUTKNI-OODOAVRDSA-N
XLogP2.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-oxocyclopent-2-en-1-yl)propanoic acid
CID 58869821
(4R)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]cyclopent-2-en-1-one
CID 140749971
(E)-7-(5-hydroxycyclopent-2-en-1-yl)hept-5-enoic acid
CID 13427657
7-[(1R,2R)-2-oct-2-enyl-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 71446729
(Z)-7-[(1R,2R,3S,4S)-3-formyl-7-oxo-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 88671862
(Z)-7-[(1S,2S,3R,4R)-3-(hydroxymethyl)-7-oxo-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 70590322
(Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid
CID 118934373
tetradeca-5,8-dienedioic acid
CID 54091580
(Z)-7-[(1R,2S)-2-(8-hydroxyoct-1-enyl)-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 67656884
(Z)-dodec-5-enedioic acid
CID 86751837
(E)-7-[2-oxo-5-[(E)-3-oxodec-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21403675
(Z)-7-[(1R,5S)-2-oxo-5-(phenoxymethyl)cyclopent-3-en-1-yl]hept-5-enoic acid
CID 11631047

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid (CID 138978370) is (Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid is O=C(O)CCC/C=C\C[C@H]1C=CC(=O)C1.
What is the InChIKey of (Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid?
The InChIKey is UQANNBVPHUTKNI-OODOAVRDSA-N. The full InChI is InChI=1S/C12H16O3/c13-11-8-7-10(9-11)5-3-1-2-4-6-12(14)15/h1,3,7-8,10H,2,4-6,9H2,(H,14,15)/b3-1-/t10-/m0/s1.
What are the key properties of (Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid?
(Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid is sourced from PubChem (CID 138978370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).