(Z)-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enamide

C10H16N2O2 — CID 147026629

IUPAC(Z)-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enamide
SMILESC/C=C\C(=O)NC(C)N1CCCC1=O
InChIInChI=1S/C10H16N2O2/c1-3-5-9(13)11-8(2)12-7-4-6-10(12)14/h3,5,8H,4,6-7H2,1-2H3,(H,11,13)/b5-3-
InChIKeyAWUCLXCQBLFOTJ-HYXAFXHYSA-N
MW196.25 g/mol
LogP0.65
Rot. Bonds3

About (Z)-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enamide

(Z)-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enamide (PubChem CID 147026629) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (Z)-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enamide
PubChem CID147026629
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(Z)-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enamide
SMILESC/C=C\C(=O)NC(C)N1CCCC1=O
InChIInChI=1S/C10H16N2O2/c1-3-5-9(13)11-8(2)12-7-4-6-10(12)14/h3,5,8H,4,6-7H2,1-2H3,(H,11,13)/b5-3-
InChIKeyAWUCLXCQBLFOTJ-HYXAFXHYSA-N
XLogP0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide
CID 145314575
acetylene;1-propan-2-ylpyrrolidin-2-one
CID 178109061
(E)-N-[(2R)-butan-2-yl]but-2-enamide
CID 55299648
(E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide
CID 115596720
2-(2-oxopyrrolidin-1-yl)propanehydrazide
CID 13150926
(E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide
CID 134844931
N-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-phenylprop-2-enamide
CID 91552807
methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
CID 139781503
1-[(E)-but-2-enoyl]piperidin-2-one
CID 101396423
propane;(E)-N-propan-2-ylbut-2-enamide
CID 177014610
1-propan-2-ylazonan-2-one
CID 101216305
methyl acetate;1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate
CID 145448652

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enamide?
The IUPAC name of (Z)-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enamide (CID 147026629) is (Z)-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enamide.
What is the SMILES notation for (Z)-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enamide?
The canonical SMILES for (Z)-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enamide is C/C=C\C(=O)NC(C)N1CCCC1=O.
What is the InChIKey of (Z)-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enamide?
The InChIKey is AWUCLXCQBLFOTJ-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-5-9(13)11-8(2)12-7-4-6-10(12)14/h3,5,8H,4,6-7H2,1-2H3,(H,11,13)/b5-3-.
What are the key properties of (Z)-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enamide?
(Z)-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enamide has a molecular weight of 196.25 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(2-oxopyrrolidin-1-yl)ethyl]but-2-enamide is sourced from PubChem (CID 147026629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).