methyl 2-[3-oxo-2-[(Z)-pent-3-enyl]cyclopentyl]acetate

C13H20O3 — CID 172720888

IUPACmethyl 2-[3-oxo-2-[(Z)-pent-3-enyl]cyclopentyl]acetate
SMILESC/C=C\CCC1C(=O)CCC1CC(=O)OC
InChIInChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h3-4,10-11H,5-9H2,1-2H3/b4-3-
InChIKeyGMQJNWZUGBQERB-ARJAWSKDSA-N
MW224.30 g/mol
LogP2.50
Rot. Bonds5

About methyl 2-[3-oxo-2-[(Z)-pent-3-enyl]cyclopentyl]acetate

methyl 2-[3-oxo-2-[(Z)-pent-3-enyl]cyclopentyl]acetate (PubChem CID 172720888) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is methyl 2-[3-oxo-2-[(Z)-pent-3-enyl]cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-oxo-2-[(Z)-pent-3-enyl]cyclopentyl]acetate
PubChem CID172720888
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Namemethyl 2-[3-oxo-2-[(Z)-pent-3-enyl]cyclopentyl]acetate
SMILESC/C=C\CCC1C(=O)CCC1CC(=O)OC
InChIInChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h3-4,10-11H,5-9H2,1-2H3/b4-3-
InChIKeyGMQJNWZUGBQERB-ARJAWSKDSA-N
XLogP2.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(1S,2S)-2-butyl-3-oxocyclopentyl]acetate
CID 154944016
methyl 2-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S,2R)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
CID 157434291
methyl 2-[(1S)-3-oxo-2-pent-2-enylcyclopentyl]acetate
CID 91500588
ethane-1,2-diol;methyl 2-[(1S,2S)-3-oxo-2-pentylcyclopentyl]acetate
CID 154944035
methyl 2-[(1R,2R)-3-oxo-2-[(Z)-5,5,5-trifluoropent-2-enyl]cyclopentyl]acetate
CID 10707708
2-[(1S)-2-[(E)-hex-3-enyl]-3-oxocyclopentyl]acetic acid
CID 149288803
methyl 2-[2-(2,3-dibromopentyl)-3-oxocyclopentyl]acetate;methyl 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 158002521
ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate
CID 15452634
methyl 2-[3-oxo-2-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetate
CID 73100171
pentyl 2-(3-oxo-2-pentylcyclopentyl)acetate
CID 54471337
[2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate
CID 73407000
methyl 2-[(2S,6S)-6-methyl-3-oxooxan-2-yl]acetate
CID 139265982

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-oxo-2-[(Z)-pent-3-enyl]cyclopentyl]acetate?
The IUPAC name of methyl 2-[3-oxo-2-[(Z)-pent-3-enyl]cyclopentyl]acetate (CID 172720888) is methyl 2-[3-oxo-2-[(Z)-pent-3-enyl]cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[3-oxo-2-[(Z)-pent-3-enyl]cyclopentyl]acetate?
The canonical SMILES for methyl 2-[3-oxo-2-[(Z)-pent-3-enyl]cyclopentyl]acetate is C/C=C\CCC1C(=O)CCC1CC(=O)OC.
What is the InChIKey of methyl 2-[3-oxo-2-[(Z)-pent-3-enyl]cyclopentyl]acetate?
The InChIKey is GMQJNWZUGBQERB-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h3-4,10-11H,5-9H2,1-2H3/b4-3-.
What are the key properties of methyl 2-[3-oxo-2-[(Z)-pent-3-enyl]cyclopentyl]acetate?
methyl 2-[3-oxo-2-[(Z)-pent-3-enyl]cyclopentyl]acetate has a molecular weight of 224.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-oxo-2-[(Z)-pent-3-enyl]cyclopentyl]acetate is sourced from PubChem (CID 172720888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).