methyl 3-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]propanoate

C14H22O3 — CID 10823849

IUPACmethyl 3-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]propanoate
SMILESCC/C=C\C[C@H]1C(=O)CC[C@@H]1CCC(=O)OC
InChIInChI=1S/C14H22O3/c1-3-4-5-6-12-11(7-9-13(12)15)8-10-14(16)17-2/h4-5,11-12H,3,6-10H2,1-2H3/b5-4-/t11-,12-/m1/s1
InChIKeyUGHBDZYSMQFPAJ-XLMCQVRKSA-N
MW238.33 g/mol
LogP2.89
Rot. Bonds6

About methyl 3-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]propanoate

methyl 3-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]propanoate (PubChem CID 10823849) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is methyl 3-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]propanoate
PubChem CID10823849
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Namemethyl 3-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]propanoate
SMILESCC/C=C\C[C@H]1C(=O)CC[C@@H]1CCC(=O)OC
InChIInChI=1S/C14H22O3/c1-3-4-5-6-12-11(7-9-13(12)15)8-10-14(16)17-2/h4-5,11-12H,3,6-10H2,1-2H3/b5-4-/t11-,12-/m1/s1
InChIKeyUGHBDZYSMQFPAJ-XLMCQVRKSA-N
XLogP2.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
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 methyl 3-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]propanoate?
The IUPAC name of methyl 3-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]propanoate (CID 10823849) is methyl 3-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]propanoate.
What is the SMILES notation for methyl 3-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]propanoate?
The canonical SMILES for methyl 3-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]propanoate is CC/C=C\C[C@H]1C(=O)CC[C@@H]1CCC(=O)OC.
What is the InChIKey of methyl 3-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]propanoate?
The InChIKey is UGHBDZYSMQFPAJ-XLMCQVRKSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-4-5-6-12-11(7-9-13(12)15)8-10-14(16)17-2/h4-5,11-12H,3,6-10H2,1-2H3/b5-4-/t11-,12-/m1/s1.
What are the key properties of methyl 3-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]propanoate?
methyl 3-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]propanoate has a molecular weight of 238.33 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]propanoate is sourced from PubChem (CID 10823849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).