methyl 2-cyclopent-2-en-1-yl-2-phenylacetate

C14H16O2 — CID 10775105

IUPACmethyl 2-cyclopent-2-en-1-yl-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)C1C=CCC1
InChIInChI=1S/C14H16O2/c1-16-14(15)13(12-9-5-6-10-12)11-7-3-2-4-8-11/h2-5,7-9,12-13H,6,10H2,1H3
InChIKeyRZEZRZHHUHHJRO-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.91
Rot. Bonds3

About methyl 2-cyclopent-2-en-1-yl-2-phenylacetate

methyl 2-cyclopent-2-en-1-yl-2-phenylacetate (PubChem CID 10775105) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-cyclopent-2-en-1-yl-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-cyclopent-2-en-1-yl-2-phenylacetate
PubChem CID10775105
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Namemethyl 2-cyclopent-2-en-1-yl-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)C1C=CCC1
InChIInChI=1S/C14H16O2/c1-16-14(15)13(12-9-5-6-10-12)11-7-3-2-4-8-11/h2-5,7-9,12-13H,6,10H2,1H3
InChIKeyRZEZRZHHUHHJRO-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 82075532
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CID 115618836
methyl 2-phenyl-2-piperidin-2-ylacetate
CID 4158
methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide
CID 67605642
methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate
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methyl (2R)-2-cyclohexyloxy-2-phenylacetate
CID 45114259
[(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride
CID 10856539
methyl 2-[3-(2-methoxy-2-oxoacetyl)-2-bicyclo[2.2.1]hept-5-enyl]-2-phenylacetate
CID 548791
methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate
CID 146351173
methyl 2-[(1S)-cyclohex-2-en-1-yl]-4-phenylselanylbutanoate
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CID 55301012

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopent-2-en-1-yl-2-phenylacetate?
The IUPAC name of methyl 2-cyclopent-2-en-1-yl-2-phenylacetate (CID 10775105) is methyl 2-cyclopent-2-en-1-yl-2-phenylacetate.
What is the SMILES notation for methyl 2-cyclopent-2-en-1-yl-2-phenylacetate?
The canonical SMILES for methyl 2-cyclopent-2-en-1-yl-2-phenylacetate is COC(=O)C(c1ccccc1)C1C=CCC1.
What is the InChIKey of methyl 2-cyclopent-2-en-1-yl-2-phenylacetate?
The InChIKey is RZEZRZHHUHHJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-16-14(15)13(12-9-5-6-10-12)11-7-3-2-4-8-11/h2-5,7-9,12-13H,6,10H2,1H3.
What are the key properties of methyl 2-cyclopent-2-en-1-yl-2-phenylacetate?
methyl 2-cyclopent-2-en-1-yl-2-phenylacetate has a molecular weight of 216.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopent-2-en-1-yl-2-phenylacetate is sourced from PubChem (CID 10775105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).