(Z)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide

C12H20N2O2 — CID 47028372

IUPAC(Z)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C12H20N2O2/c1-3-6-10(2)12(16)13-9-11(15)14-7-4-5-8-14/h6H,3-5,7-9H2,1-2H3,(H,13,16)/b10-6-
InChIKeyLVBONLWMBSPHJS-POHAHGRESA-N
MW224.30 g/mol
LogP1.08
Rot. Bonds4

About (Z)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide

(Z)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide (PubChem CID 47028372) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (Z)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide.

Molecular Properties

Compound Name(Z)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide
PubChem CID47028372
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(Z)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C12H20N2O2/c1-3-6-10(2)12(16)13-9-11(15)14-7-4-5-8-14/h6H,3-5,7-9H2,1-2H3,(H,13,16)/b10-6-
InChIKeyLVBONLWMBSPHJS-POHAHGRESA-N
XLogP1.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.08
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide?
The IUPAC name of (Z)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide (CID 47028372) is (Z)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide.
What is the SMILES notation for (Z)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide?
The canonical SMILES for (Z)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide is CC/C=C(/C)C(=O)NCC(=O)N1CCCC1.
What is the InChIKey of (Z)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide?
The InChIKey is LVBONLWMBSPHJS-POHAHGRESA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-6-10(2)12(16)13-9-11(15)14-7-4-5-8-14/h6H,3-5,7-9H2,1-2H3,(H,13,16)/b10-6-.
What are the key properties of (Z)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide?
(Z)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide has a molecular weight of 224.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pent-2-enamide is sourced from PubChem (CID 47028372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).