4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide

C10H14N2O3 — CID 59740413

IUPAC4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide
SMILESCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3/c1-2-11-8(13)4-3-7-12-9(14)5-6-10(12)15/h5-6H,2-4,7H2,1H3,(H,11,13)
InChIKeyIWHPCCDQHBZTKS-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.17
Rot. Bonds5

About 4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide

4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide (PubChem CID 59740413) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide
PubChem CID59740413
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide
SMILESCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3/c1-2-11-8(13)4-3-7-12-9(14)5-6-10(12)15/h5-6H,2-4,7H2,1H3,(H,11,13)
InChIKeyIWHPCCDQHBZTKS-UHFFFAOYSA-N
XLogP-0.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.17
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 4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide (CID 59740413) is 4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide is CCNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide?
The InChIKey is IWHPCCDQHBZTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-11-8(13)4-3-7-12-9(14)5-6-10(12)15/h5-6H,2-4,7H2,1H3,(H,11,13).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide?
4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide has a molecular weight of 210.23 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide is sourced from PubChem (CID 59740413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).