[4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate

C15H19NO3 — CID 70331616

IUPAC[4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate
SMILESCCCCC(=O)Oc1ccc(N2CCC(=O)C2)cc1
InChIInChI=1S/C15H19NO3/c1-2-3-4-15(18)19-14-7-5-12(6-8-14)16-10-9-13(17)11-16/h5-8H,2-4,9-11H2,1H3
InChIKeyDMYSNGMOEIAQOB-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.56
Rot. Bonds5

About [4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate

[4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate (PubChem CID 70331616) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is [4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate.

Molecular Properties

Compound Name[4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate
PubChem CID70331616
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name[4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate
SMILESCCCCC(=O)Oc1ccc(N2CCC(=O)C2)cc1
InChIInChI=1S/C15H19NO3/c1-2-3-4-15(18)19-14-7-5-12(6-8-14)16-10-9-13(17)11-16/h5-8H,2-4,9-11H2,1H3
InChIKeyDMYSNGMOEIAQOB-UHFFFAOYSA-N
XLogP2.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate
CID 134216719
[4-(2,5-dioxopyrrolidin-1-yl)phenyl] heptanoate
CID 3742273
[4-(2,5-dioxopyrrolidin-1-yl)phenyl] octanoate
CID 3732888
4-pentanoyloxybenzoic acid
CID 22756882
(4-piperazin-1-ylphenyl) butanoate
CID 123824502
(4-chlorophenyl) pentanoate
CID 532709
[4-[(3aR,5S,6S,7aR)-5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] decanoate
CID 124723965
[4-(2-hydroperoxypropan-2-yl)phenyl] pentanoate
CID 154622048
[4-(4-octanoyloxyphenyl)phenyl] octanoate
CID 100963923
[4-(4-heptanoyloxyphenyl)phenyl] heptanoate
CID 100963922
(4-formylphenyl) hexanoate
CID 3084911
4-hexanoyloxybenzoic acid;hydrochloride
CID 70518034

Frequently Asked Questions

What is the IUPAC name of [4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate?
The IUPAC name of [4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate (CID 70331616) is [4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate.
What is the SMILES notation for [4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate?
The canonical SMILES for [4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate is CCCCC(=O)Oc1ccc(N2CCC(=O)C2)cc1.
What is the InChIKey of [4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate?
The InChIKey is DMYSNGMOEIAQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-3-4-15(18)19-14-7-5-12(6-8-14)16-10-9-13(17)11-16/h5-8H,2-4,9-11H2,1H3.
What are the key properties of [4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate?
[4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate has a molecular weight of 261.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate is sourced from PubChem (CID 70331616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).