methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate

C15H19NO4 — CID 60627945

IUPACmethyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate
SMILESCOC(=O)c1ccc(OC(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H19NO4/c1-11(14(17)16-9-3-4-10-16)20-13-7-5-12(6-8-13)15(18)19-2/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyTUQNYHJQQPQEAR-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.86
Rot. Bonds4

About methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate

methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate (PubChem CID 60627945) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate
PubChem CID60627945
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate
SMILESCOC(=O)c1ccc(OC(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H19NO4/c1-11(14(17)16-9-3-4-10-16)20-13-7-5-12(6-8-13)15(18)19-2/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyTUQNYHJQQPQEAR-UHFFFAOYSA-N
XLogP1.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
methyl N-[4-[1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]carbamate
CID 60522624
methyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate
CID 18096879
2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43276881
2-(4-hydroxyphenoxy)-1-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108545473
(2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 8587224
1-(azepan-1-yl)-2-(4-methylsulfanylphenoxy)propan-1-one
CID 86909547
2-(4-ethylphenoxy)-1-[4-[2-(4-ethylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981285
2-(4-tert-butylphenoxy)-1-[4-[2-(4-tert-butylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 17046898
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 167920139

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate?
The IUPAC name of methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate (CID 60627945) is methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate.
What is the SMILES notation for methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate?
The canonical SMILES for methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate is COC(=O)c1ccc(OC(C)C(=O)N2CCCC2)cc1.
What is the InChIKey of methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate?
The InChIKey is TUQNYHJQQPQEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11(14(17)16-9-3-4-10-16)20-13-7-5-12(6-8-13)15(18)19-2/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate?
methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate has a molecular weight of 277.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate is sourced from PubChem (CID 60627945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).