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

C11H18N2O2 — CID 11127541

IUPAC(E)-N,N-diethyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide
SMILESCCN(CC)C(=O)/C=C/N1CCCC1=O
InChIInChI=1S/C11H18N2O2/c1-3-12(4-2)11(15)7-9-13-8-5-6-10(13)14/h7,9H,3-6,8H2,1-2H3/b9-7+
InChIKeyYBOBZLXETZOYHK-VQHVLOKHSA-N
MW210.28 g/mol
LogP0.99
Rot. Bonds4

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

(E)-N,N-diethyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide (PubChem CID 11127541) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide
PubChem CID11127541
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(E)-N,N-diethyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide
SMILESCCN(CC)C(=O)/C=C/N1CCCC1=O
InChIInChI=1S/C11H18N2O2/c1-3-12(4-2)11(15)7-9-13-8-5-6-10(13)14/h7,9H,3-6,8H2,1-2H3/b9-7+
InChIKeyYBOBZLXETZOYHK-VQHVLOKHSA-N
XLogP0.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.99
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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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide?
The IUPAC name of (E)-N,N-diethyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide (CID 11127541) is (E)-N,N-diethyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide is CCN(CC)C(=O)/C=C/N1CCCC1=O.
What is the InChIKey of (E)-N,N-diethyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide?
The InChIKey is YBOBZLXETZOYHK-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-12(4-2)11(15)7-9-13-8-5-6-10(13)14/h7,9H,3-6,8H2,1-2H3/b9-7+.
What are the key properties of (E)-N,N-diethyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide?
(E)-N,N-diethyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide has a molecular weight of 210.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-(2-oxopyrrolidin-1-yl)prop-2-enamide is sourced from PubChem (CID 11127541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).