3-ethyl-2,5-dioxopyrrole-1-carboxamide

C7H8N2O3 — CID 139747990

IUPAC3-ethyl-2,5-dioxopyrrole-1-carboxamide
SMILESCCC1=CC(=O)N(C(N)=O)C1=O
InChIInChI=1S/C7H8N2O3/c1-2-4-3-5(10)9(6(4)11)7(8)12/h3H,2H2,1H3,(H2,8,12)
InChIKeyRMBDNCNQLOPOEG-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.23
Rot. Bonds1

About 3-ethyl-2,5-dioxopyrrole-1-carboxamide

3-ethyl-2,5-dioxopyrrole-1-carboxamide (PubChem CID 139747990) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3-ethyl-2,5-dioxopyrrole-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-2,5-dioxopyrrole-1-carboxamide
PubChem CID139747990
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name3-ethyl-2,5-dioxopyrrole-1-carboxamide
SMILESCCC1=CC(=O)N(C(N)=O)C1=O
InChIInChI=1S/C7H8N2O3/c1-2-4-3-5(10)9(6(4)11)7(8)12/h3H,2H2,1H3,(H2,8,12)
InChIKeyRMBDNCNQLOPOEG-UHFFFAOYSA-N
XLogP-0.23
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ectylurea
CID 5895404
(2-Ethylcrotonoyl)urea
CID 5354486
Cenestil
CID 6377520
Homeostan
CID 6438040
N-(Aminocarbonyl)-2-ethyl-2-butenamide
CID 7214
1-Acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one
CID 176905694
3-Methyl-2,5-dioxopyrrole-1-carboxamide
CID 12904609
Azane;3-ethylpyrrole-2,5-dione
CID 19898400
3-(2-Methylpropyl)-2,5-dioxopyrrole-1-carboxamide
CID 139747969
2,5-Dioxo-3,4-di(propan-2-yl)pyrrole-1-carboxamide
CID 139747972
3-Tert-butyl-2,5-dioxopyrrole-1-carboxamide
CID 139747973
2,5-Dioxo-3-propan-2-ylpyrrole-1-carboxamide
CID 139747986

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5-dioxopyrrole-1-carboxamide?
The IUPAC name of 3-ethyl-2,5-dioxopyrrole-1-carboxamide (CID 139747990) is 3-ethyl-2,5-dioxopyrrole-1-carboxamide.
What is the SMILES notation for 3-ethyl-2,5-dioxopyrrole-1-carboxamide?
The canonical SMILES for 3-ethyl-2,5-dioxopyrrole-1-carboxamide is CCC1=CC(=O)N(C(N)=O)C1=O.
What is the InChIKey of 3-ethyl-2,5-dioxopyrrole-1-carboxamide?
The InChIKey is RMBDNCNQLOPOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-2-4-3-5(10)9(6(4)11)7(8)12/h3H,2H2,1H3,(H2,8,12).
What are the key properties of 3-ethyl-2,5-dioxopyrrole-1-carboxamide?
3-ethyl-2,5-dioxopyrrole-1-carboxamide has a molecular weight of 168.15 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5-dioxopyrrole-1-carboxamide is sourced from PubChem (CID 139747990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).