N,N-diethyl-2-(1-ethyl-2-oxopyrrolidin-3-yl)prop-2-enamide

C13H22N2O2 — CID 139820161

IUPACN,N-diethyl-2-(1-ethyl-2-oxopyrrolidin-3-yl)prop-2-enamide
SMILESC=C(C(=O)N(CC)CC)C1CCN(CC)C1=O
InChIInChI=1S/C13H22N2O2/c1-5-14(6-2)12(16)10(4)11-8-9-15(7-3)13(11)17/h11H,4-9H2,1-3H3
InChIKeyKEGUZIUJPRGUBY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.28
Rot. Bonds5

About N,N-diethyl-2-(1-ethyl-2-oxopyrrolidin-3-yl)prop-2-enamide

N,N-diethyl-2-(1-ethyl-2-oxopyrrolidin-3-yl)prop-2-enamide (PubChem CID 139820161) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N,N-diethyl-2-(1-ethyl-2-oxopyrrolidin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1-ethyl-2-oxopyrrolidin-3-yl)prop-2-enamide
PubChem CID139820161
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN,N-diethyl-2-(1-ethyl-2-oxopyrrolidin-3-yl)prop-2-enamide
SMILESC=C(C(=O)N(CC)CC)C1CCN(CC)C1=O
InChIInChI=1S/C13H22N2O2/c1-5-14(6-2)12(16)10(4)11-8-9-15(7-3)13(11)17/h11H,4-9H2,1-3H3
InChIKeyKEGUZIUJPRGUBY-UHFFFAOYSA-N
XLogP1.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 67938930
1-ethyl-3-[ethyl(methyl)amino]pyrrolidin-2-one
CID 142616073
3-(dimethylamino)-1-ethylpyrrolidin-2-one
CID 20680830
CID 89334130
CID 89334130
(3R)-3-bromo-1-ethylpyrrolidin-2-one
CID 86332494
N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide
CID 23534016
3-methyl-1-(2-oxobutyl)pyrrolidin-2-one
CID 130986072
3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 114617326
4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide
CID 110873293
(1-ethyl-3-hydroxy-2-oxo-1,3-diazinan-4-yl) cyclopropanecarboxylate
CID 155406449
1-(4-chlorophenyl)-N,N-diethyl-2-oxopyrrolidine-3-carboxamide
CID 20964248
1-[2-(diethylamino)prop-2-enoyl]-3-methylimidazolidin-2-one
CID 21160491

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1-ethyl-2-oxopyrrolidin-3-yl)prop-2-enamide?
The IUPAC name of N,N-diethyl-2-(1-ethyl-2-oxopyrrolidin-3-yl)prop-2-enamide (CID 139820161) is N,N-diethyl-2-(1-ethyl-2-oxopyrrolidin-3-yl)prop-2-enamide.
What is the SMILES notation for N,N-diethyl-2-(1-ethyl-2-oxopyrrolidin-3-yl)prop-2-enamide?
The canonical SMILES for N,N-diethyl-2-(1-ethyl-2-oxopyrrolidin-3-yl)prop-2-enamide is C=C(C(=O)N(CC)CC)C1CCN(CC)C1=O.
What is the InChIKey of N,N-diethyl-2-(1-ethyl-2-oxopyrrolidin-3-yl)prop-2-enamide?
The InChIKey is KEGUZIUJPRGUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-14(6-2)12(16)10(4)11-8-9-15(7-3)13(11)17/h11H,4-9H2,1-3H3.
What are the key properties of N,N-diethyl-2-(1-ethyl-2-oxopyrrolidin-3-yl)prop-2-enamide?
N,N-diethyl-2-(1-ethyl-2-oxopyrrolidin-3-yl)prop-2-enamide has a molecular weight of 238.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1-ethyl-2-oxopyrrolidin-3-yl)prop-2-enamide is sourced from PubChem (CID 139820161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).