2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylprop-2-enamide

C11H14N2O3 — CID 89310859

IUPAC2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylprop-2-enamide
SMILESC=C(C(=O)NCC)N1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C11H14N2O3/c1-5-12-9(14)8(4)13-10(15)6(2)7(3)11(13)16/h4-5H2,1-3H3,(H,12,14)
InChIKeyRXWLSTIGTHQCER-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.34
Rot. Bonds3

About 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylprop-2-enamide

2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylprop-2-enamide (PubChem CID 89310859) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylprop-2-enamide
PubChem CID89310859
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylprop-2-enamide
SMILESC=C(C(=O)NCC)N1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C11H14N2O3/c1-5-12-9(14)8(4)13-10(15)6(2)7(3)11(13)16/h4-5H2,1-3H3,(H,12,14)
InChIKeyRXWLSTIGTHQCER-UHFFFAOYSA-N
XLogP0.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.34
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 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylprop-2-enamide?
The IUPAC name of 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylprop-2-enamide (CID 89310859) is 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylprop-2-enamide.
What is the SMILES notation for 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylprop-2-enamide?
The canonical SMILES for 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylprop-2-enamide is C=C(C(=O)NCC)N1C(=O)C(C)=C(C)C1=O.
What is the InChIKey of 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylprop-2-enamide?
The InChIKey is RXWLSTIGTHQCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-5-12-9(14)8(4)13-10(15)6(2)7(3)11(13)16/h4-5H2,1-3H3,(H,12,14).
What are the key properties of 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylprop-2-enamide?
2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylprop-2-enamide has a molecular weight of 222.24 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylprop-2-enamide is sourced from PubChem (CID 89310859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).