(2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane

C17H25NO3 — CID 145271189

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane
SMILESCCC.Cc1ccc(C(=O)OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H17NO3.C3H8/c1-11-4-6-12(7-5-11)14(17)18-10-13(16)15-8-2-3-9-15;1-3-2/h4-7H,2-3,8-10H2,1H3;3H2,1-2H3
InChIKeyWEYIIXRSPBOTCA-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.19
Rot. Bonds3

About (2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane

(2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane (PubChem CID 145271189) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane
PubChem CID145271189
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane
SMILESCCC.Cc1ccc(C(=O)OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H17NO3.C3H8/c1-11-4-6-12(7-5-11)14(17)18-10-13(16)15-8-2-3-9-15;1-3-2/h4-7H,2-3,8-10H2,1H3;3H2,1-2H3
InChIKeyWEYIIXRSPBOTCA-UHFFFAOYSA-N
XLogP3.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(azetidin-1-yl)-2-oxoethyl] 4-methylbenzoate;butane
CID 145271247
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-methylbenzoate
CID 2355163
(2-oxo-2-pyrrolidin-1-ylethyl) 4-fluorobenzoate
CID 2371316
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 2553612
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
[2-(azepan-1-yl)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 23935201
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(methylsulfanylmethyl)benzoate
CID 84603123
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)benzoate
CID 23739221
ethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 7777030
[2-(azepan-1-yl)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 134016562
[2-(azepan-1-yl)-2-oxoethyl] 4-nitrobenzoate
CID 2428827
ethyl 4-[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]piperazine-1-carboxylate
CID 7871826

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane (CID 145271189) is (2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane is CCC.Cc1ccc(C(=O)OCC(=O)N2CCCC2)cc1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane?
The InChIKey is WEYIIXRSPBOTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3.C3H8/c1-11-4-6-12(7-5-11)14(17)18-10-13(16)15-8-2-3-9-15;1-3-2/h4-7H,2-3,8-10H2,1H3;3H2,1-2H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane?
(2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane has a molecular weight of 291.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 4-methylbenzoate;propane is sourced from PubChem (CID 145271189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).