1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid

C10H10O5 — CID 158404515

IUPAC1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1(C(=O)OCC2CO2)C=CC=C1
InChIInChI=1S/C10H10O5/c11-8(12)10(3-1-2-4-10)9(13)15-6-7-5-14-7/h1-4,7H,5-6H2,(H,11,12)
InChIKeyCYNDWHWUNHDZPG-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.13
Rot. Bonds4

About 1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid

1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid (PubChem CID 158404515) has the molecular formula C10H10O5 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid
PubChem CID158404515
Molecular FormulaC10H10O5
Molecular Weight210.19 g/mol
Exact Mass210.05
IUPAC Name1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1(C(=O)OCC2CO2)C=CC=C1
InChIInChI=1S/C10H10O5/c11-8(12)10(3-1-2-4-10)9(13)15-6-7-5-14-7/h1-4,7H,5-6H2,(H,11,12)
InChIKeyCYNDWHWUNHDZPG-UHFFFAOYSA-N
XLogP0.13
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid?
The IUPAC name of 1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid (CID 158404515) is 1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid?
The canonical SMILES for 1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid is O=C(O)C1(C(=O)OCC2CO2)C=CC=C1.
What is the InChIKey of 1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid?
The InChIKey is CYNDWHWUNHDZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c11-8(12)10(3-1-2-4-10)9(13)15-6-7-5-14-7/h1-4,7H,5-6H2,(H,11,12).
What are the key properties of 1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid?
1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 158404515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).