2,5-dioxo-3-propan-2-ylpyrrole-1-carboxamide

C8H10N2O3 — CID 139747986

IUPAC2,5-dioxo-3-propan-2-ylpyrrole-1-carboxamide
SMILESCC(C)C1=CC(=O)N(C(N)=O)C1=O
InChIInChI=1S/C8H10N2O3/c1-4(2)5-3-6(11)10(7(5)12)8(9)13/h3-4H,1-2H3,(H2,9,13)
InChIKeyXSBFIFXPESXNCR-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.02
Rot. Bonds1

About 2,5-dioxo-3-propan-2-ylpyrrole-1-carboxamide

2,5-dioxo-3-propan-2-ylpyrrole-1-carboxamide (PubChem CID 139747986) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2,5-dioxo-3-propan-2-ylpyrrole-1-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-3-propan-2-ylpyrrole-1-carboxamide
PubChem CID139747986
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2,5-dioxo-3-propan-2-ylpyrrole-1-carboxamide
SMILESCC(C)C1=CC(=O)N(C(N)=O)C1=O
InChIInChI=1S/C8H10N2O3/c1-4(2)5-3-6(11)10(7(5)12)8(9)13/h3-4H,1-2H3,(H2,9,13)
InChIKeyXSBFIFXPESXNCR-UHFFFAOYSA-N
XLogP0.02
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.02
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
Urea, 1-(2-tert-butylcrotonoyl)-
CID 6447723
1-Acetyl-6-amino-3-ethyl-5-fluoropyridin-2-one
CID 176905694
3-Ethyl-1-(2-methylpropanoyl)pyrrole-2,5-dione
CID 66799674
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
3-(3-Methylbutyl)-2,5-dioxopyrrole-1-carboxamide
CID 139747983

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-3-propan-2-ylpyrrole-1-carboxamide?
The IUPAC name of 2,5-dioxo-3-propan-2-ylpyrrole-1-carboxamide (CID 139747986) is 2,5-dioxo-3-propan-2-ylpyrrole-1-carboxamide.
What is the SMILES notation for 2,5-dioxo-3-propan-2-ylpyrrole-1-carboxamide?
The canonical SMILES for 2,5-dioxo-3-propan-2-ylpyrrole-1-carboxamide is CC(C)C1=CC(=O)N(C(N)=O)C1=O.
What is the InChIKey of 2,5-dioxo-3-propan-2-ylpyrrole-1-carboxamide?
The InChIKey is XSBFIFXPESXNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4(2)5-3-6(11)10(7(5)12)8(9)13/h3-4H,1-2H3,(H2,9,13).
What are the key properties of 2,5-dioxo-3-propan-2-ylpyrrole-1-carboxamide?
2,5-dioxo-3-propan-2-ylpyrrole-1-carboxamide has a molecular weight of 182.18 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-3-propan-2-ylpyrrole-1-carboxamide is sourced from PubChem (CID 139747986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).