methyl cyclopent-2-ene-1-carboxylate

C7H10O2 — CID 12856946

IUPACmethyl cyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1C=CCC1
InChIInChI=1S/C7H10O2/c1-9-7(8)6-4-2-3-5-6/h2,4,6H,3,5H2,1H3
InChIKeyOXCAIEJHPQKJQV-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.13
Rot. Bonds1

About methyl cyclopent-2-ene-1-carboxylate

methyl cyclopent-2-ene-1-carboxylate (PubChem CID 12856946) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is methyl cyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl cyclopent-2-ene-1-carboxylate
PubChem CID12856946
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Namemethyl cyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1C=CCC1
InChIInChI=1S/C7H10O2/c1-9-7(8)6-4-2-3-5-6/h2,4,6H,3,5H2,1H3
InChIKeyOXCAIEJHPQKJQV-UHFFFAOYSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl cyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl cyclopent-2-ene-1-carboxylate (CID 12856946) is methyl cyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl cyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl cyclopent-2-ene-1-carboxylate is COC(=O)C1C=CCC1.
What is the InChIKey of methyl cyclopent-2-ene-1-carboxylate?
The InChIKey is OXCAIEJHPQKJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-9-7(8)6-4-2-3-5-6/h2,4,6H,3,5H2,1H3.
What are the key properties of methyl cyclopent-2-ene-1-carboxylate?
methyl cyclopent-2-ene-1-carboxylate has a molecular weight of 126.15 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl cyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 12856946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).