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

C9H14N2O2 — CID 18414894

IUPAC2-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCN1CCCC1=O
InChIInChI=1S/C9H14N2O2/c1-7(2)9(13)10-6-11-5-3-4-8(11)12/h1,3-6H2,2H3,(H,10,13)
InChIKeyDETAFKZMLXBDKE-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.26
Rot. Bonds3

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

2-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide (PubChem CID 18414894) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide
PubChem CID18414894
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide
SMILESC=C(C)C(=O)NCN1CCCC1=O
InChIInChI=1S/C9H14N2O2/c1-7(2)9(13)10-6-11-5-3-4-8(11)12/h1,3-6H2,2H3,(H,10,13)
InChIKeyDETAFKZMLXBDKE-UHFFFAOYSA-N
XLogP0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.26
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 2-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide (CID 18414894) is 2-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide is C=C(C)C(=O)NCN1CCCC1=O.
What is the InChIKey of 2-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide?
The InChIKey is DETAFKZMLXBDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(2)9(13)10-6-11-5-3-4-8(11)12/h1,3-6H2,2H3,(H,10,13).
What are the key properties of 2-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide?
2-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide has a molecular weight of 182.22 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-oxopyrrolidin-1-yl)methyl]prop-2-enamide is sourced from PubChem (CID 18414894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).