3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide

C11H16N2O3 — CID 155058671

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide
SMILESCCNC(=O)C(C)C(C)N1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3/c1-4-12-11(16)7(2)8(3)13-9(14)5-6-10(13)15/h5-8H,4H2,1-3H3,(H,12,16)
InChIKeyLQLPLHXBMKGLKT-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.07
Rot. Bonds4

About 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide

3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide (PubChem CID 155058671) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide
PubChem CID155058671
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide
SMILESCCNC(=O)C(C)C(C)N1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3/c1-4-12-11(16)7(2)8(3)13-9(14)5-6-10(13)15/h5-8H,4H2,1-3H3,(H,12,16)
InChIKeyLQLPLHXBMKGLKT-UHFFFAOYSA-N
XLogP0.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide (CID 155058671) is 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide is CCNC(=O)C(C)C(C)N1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide?
The InChIKey is LQLPLHXBMKGLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-12-11(16)7(2)8(3)13-9(14)5-6-10(13)15/h5-8H,4H2,1-3H3,(H,12,16).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide?
3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide has a molecular weight of 224.26 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-ethyl-2-methylbutanamide is sourced from PubChem (CID 155058671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).