2,5-dioxo-3,4-di(propan-2-yl)pyrrole-1-carboxamide

C11H16N2O3 — CID 139747972

IUPAC2,5-dioxo-3,4-di(propan-2-yl)pyrrole-1-carboxamide
SMILESCC(C)C1=C(C(C)C)C(=O)N(C(N)=O)C1=O
InChIInChI=1S/C11H16N2O3/c1-5(2)7-8(6(3)4)10(15)13(9(7)14)11(12)16/h5-6H,1-4H3,(H2,12,16)
InChIKeyQHOHCXNKNILKOF-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.04
Rot. Bonds2

About 2,5-dioxo-3,4-di(propan-2-yl)pyrrole-1-carboxamide

2,5-dioxo-3,4-di(propan-2-yl)pyrrole-1-carboxamide (PubChem CID 139747972) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,5-dioxo-3,4-di(propan-2-yl)pyrrole-1-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-3,4-di(propan-2-yl)pyrrole-1-carboxamide
PubChem CID139747972
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2,5-dioxo-3,4-di(propan-2-yl)pyrrole-1-carboxamide
SMILESCC(C)C1=C(C(C)C)C(=O)N(C(N)=O)C1=O
InChIInChI=1S/C11H16N2O3/c1-5(2)7-8(6(3)4)10(15)13(9(7)14)11(12)16/h5-6H,1-4H3,(H2,12,16)
InChIKeyQHOHCXNKNILKOF-UHFFFAOYSA-N
XLogP1.04
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.04
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

3-Isopropyl-4-methyl-1H-pyrrole-2,5-dione
CID 45083044
3,4-Di(propan-2-yl)pyrrole-2,5-dione
CID 23529133
4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide
CID 57066445
3,4,5-Trimethyl-6-oxo-2,3-dihydropyridine-1-carboxamide
CID 69260802
3-Ethyl-4-propan-2-ylpyrrole-2,5-dione
CID 101844408
3,4-Bis(3-methylbutyl)-2,5-dioxopyrrole-1-carboxamide
CID 139747970
3-Tert-butyl-2,5-dioxopyrrole-1-carboxamide
CID 139747973
3,4-Bis(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide
CID 139747975
3,4-Di(butan-2-yl)-2,5-dioxopyrrole-1-carboxamide
CID 139747982
2,5-Dioxo-3-propan-2-ylpyrrole-1-carboxamide
CID 139747986
3-Ethyl-2,5-dioxopyrrole-1-carboxamide
CID 139747990
2,5-Dioxo-3,4-dipropylpyrrole-1-carboxamide
CID 139747993

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-3,4-di(propan-2-yl)pyrrole-1-carboxamide?
The IUPAC name of 2,5-dioxo-3,4-di(propan-2-yl)pyrrole-1-carboxamide (CID 139747972) is 2,5-dioxo-3,4-di(propan-2-yl)pyrrole-1-carboxamide.
What is the SMILES notation for 2,5-dioxo-3,4-di(propan-2-yl)pyrrole-1-carboxamide?
The canonical SMILES for 2,5-dioxo-3,4-di(propan-2-yl)pyrrole-1-carboxamide is CC(C)C1=C(C(C)C)C(=O)N(C(N)=O)C1=O.
What is the InChIKey of 2,5-dioxo-3,4-di(propan-2-yl)pyrrole-1-carboxamide?
The InChIKey is QHOHCXNKNILKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-5(2)7-8(6(3)4)10(15)13(9(7)14)11(12)16/h5-6H,1-4H3,(H2,12,16).
What are the key properties of 2,5-dioxo-3,4-di(propan-2-yl)pyrrole-1-carboxamide?
2,5-dioxo-3,4-di(propan-2-yl)pyrrole-1-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-3,4-di(propan-2-yl)pyrrole-1-carboxamide is sourced from PubChem (CID 139747972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).