N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide

C9H12N2O3 — CID 20567302

IUPACN-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN1C(=O)CCC1=O
InChIInChI=1S/C9H12N2O3/c1-2-7(12)10-5-6-11-8(13)3-4-9(11)14/h2H,1,3-6H2,(H,10,12)
InChIKeyNOBWWCZNYHMSCW-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.56
Rot. Bonds4

About N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide

N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide (PubChem CID 20567302) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide
PubChem CID20567302
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN1C(=O)CCC1=O
InChIInChI=1S/C9H12N2O3/c1-2-7(12)10-5-6-11-8(13)3-4-9(11)14/h2H,1,3-6H2,(H,10,12)
InChIKeyNOBWWCZNYHMSCW-UHFFFAOYSA-N
XLogP-0.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide (CID 20567302) is N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide is C=CC(=O)NCCN1C(=O)CCC1=O.
What is the InChIKey of N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide?
The InChIKey is NOBWWCZNYHMSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-7(12)10-5-6-11-8(13)3-4-9(11)14/h2H,1,3-6H2,(H,10,12).
What are the key properties of N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide?
N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide has a molecular weight of 196.21 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 20567302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).