2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide

C11H18N2O2 — CID 127125203

IUPAC2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C11H18N2O2/c1-9(2)11(15)12-6-4-8-13-7-3-5-10(13)14/h1,3-8H2,2H3,(H,12,15)
InChIKeyALEWNWJGYSWHNU-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.69
Rot. Bonds5

About 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide

2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide (PubChem CID 127125203) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
PubChem CID127125203
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C11H18N2O2/c1-9(2)11(15)12-6-4-8-13-7-3-5-10(13)14/h1,3-8H2,2H3,(H,12,15)
InChIKeyALEWNWJGYSWHNU-UHFFFAOYSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide (CID 127125203) is 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide is C=C(C)C(=O)NCCCN1CCCC1=O.
What is the InChIKey of 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
The InChIKey is ALEWNWJGYSWHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(2)11(15)12-6-4-8-13-7-3-5-10(13)14/h1,3-8H2,2H3,(H,12,15).
What are the key properties of 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide has a molecular weight of 210.28 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide is sourced from PubChem (CID 127125203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).