ethyl 2-[(1R)-1-ethynylcyclopent-2-en-1-yl]acetate

C11H14O2 — CID 11217569

IUPACethyl 2-[(1R)-1-ethynylcyclopent-2-en-1-yl]acetate
SMILESC#C[C@]1(CC(=O)OCC)C=CCC1
InChIInChI=1S/C11H14O2/c1-3-11(7-5-6-8-11)9-10(12)13-4-2/h1,5,7H,4,6,8-9H2,2H3/t11-/m0/s1
InChIKeyURUPWJRQMJQYRO-NSHDSACASA-N
MW178.23 g/mol
LogP1.91
Rot. Bonds3

About ethyl 2-[(1R)-1-ethynylcyclopent-2-en-1-yl]acetate

ethyl 2-[(1R)-1-ethynylcyclopent-2-en-1-yl]acetate (PubChem CID 11217569) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is ethyl 2-[(1R)-1-ethynylcyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R)-1-ethynylcyclopent-2-en-1-yl]acetate
PubChem CID11217569
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Nameethyl 2-[(1R)-1-ethynylcyclopent-2-en-1-yl]acetate
SMILESC#C[C@]1(CC(=O)OCC)C=CCC1
InChIInChI=1S/C11H14O2/c1-3-11(7-5-6-8-11)9-10(12)13-4-2/h1,5,7H,4,6,8-9H2,2H3/t11-/m0/s1
InChIKeyURUPWJRQMJQYRO-NSHDSACASA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R)-1-ethynylcyclopent-2-en-1-yl]acetate?
The IUPAC name of ethyl 2-[(1R)-1-ethynylcyclopent-2-en-1-yl]acetate (CID 11217569) is ethyl 2-[(1R)-1-ethynylcyclopent-2-en-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(1R)-1-ethynylcyclopent-2-en-1-yl]acetate?
The canonical SMILES for ethyl 2-[(1R)-1-ethynylcyclopent-2-en-1-yl]acetate is C#C[C@]1(CC(=O)OCC)C=CCC1.
What is the InChIKey of ethyl 2-[(1R)-1-ethynylcyclopent-2-en-1-yl]acetate?
The InChIKey is URUPWJRQMJQYRO-NSHDSACASA-N. The full InChI is InChI=1S/C11H14O2/c1-3-11(7-5-6-8-11)9-10(12)13-4-2/h1,5,7H,4,6,8-9H2,2H3/t11-/m0/s1.
What are the key properties of ethyl 2-[(1R)-1-ethynylcyclopent-2-en-1-yl]acetate?
ethyl 2-[(1R)-1-ethynylcyclopent-2-en-1-yl]acetate has a molecular weight of 178.23 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R)-1-ethynylcyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 11217569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).