cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate

C13H20O3 — CID 162089386

IUPACcyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate
SMILESCOC(=O)C1CC=CC1.OCC1CC=CC1
InChIInChI=1S/C7H10O2.C6H10O/c1-9-7(8)6-4-2-3-5-6;7-5-6-3-1-2-4-6/h2-3,6H,4-5H2,1H3;1-2,6-7H,3-5H2
InChIKeyZDJXUYQDYHWCAX-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.07
Rot. Bonds2

About cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate

cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate (PubChem CID 162089386) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Namecyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate
PubChem CID162089386
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Namecyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate
SMILESCOC(=O)C1CC=CC1.OCC1CC=CC1
InChIInChI=1S/C7H10O2.C6H10O/c1-9-7(8)6-4-2-3-5-6;7-5-6-3-1-2-4-6/h2-3,6H,4-5H2,1H3;1-2,6-7H,3-5H2
InChIKeyZDJXUYQDYHWCAX-UHFFFAOYSA-N
XLogP2.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate?
The IUPAC name of cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate (CID 162089386) is cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate.
What is the SMILES notation for cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate?
The canonical SMILES for cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate is COC(=O)C1CC=CC1.OCC1CC=CC1.
What is the InChIKey of cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate?
The InChIKey is ZDJXUYQDYHWCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.C6H10O/c1-9-7(8)6-4-2-3-5-6;7-5-6-3-1-2-4-6/h2-3,6H,4-5H2,1H3;1-2,6-7H,3-5H2.
What are the key properties of cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate?
cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-ylmethanol;methyl cyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 162089386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).