3-(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide

C10H14N2O3 — CID 139747991

IUPAC3-(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide
SMILESCC(C)(C)CC1=CC(=O)N(C(N)=O)C1=O
InChIInChI=1S/C10H14N2O3/c1-10(2,3)5-6-4-7(13)12(8(6)14)9(11)15/h4H,5H2,1-3H3,(H2,11,15)
InChIKeyJERKURWTSOMIGJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.80
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide

3-(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide (PubChem CID 139747991) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide
PubChem CID139747991
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide
SMILESCC(C)(C)CC1=CC(=O)N(C(N)=O)C1=O
InChIInChI=1S/C10H14N2O3/c1-10(2,3)5-6-4-7(13)12(8(6)14)9(11)15/h4H,5H2,1-3H3,(H2,11,15)
InChIKeyJERKURWTSOMIGJ-UHFFFAOYSA-N
XLogP0.80
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.80
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

Urea, 1-(2-ethylidenevaleryl)-
CID 24847543
3-(2,2-Dimethylpropyl)pyrrole-2,5-dione
CID 21562166
3-[(1-Carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide
CID 23618677
3-(2-Methylpropyl)-2,5-dioxopyrrole-1-carboxamide
CID 139747969
3-Tert-butyl-2,5-dioxopyrrole-1-carboxamide
CID 139747973
3,4-Bis(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide
CID 139747975
3-Octyl-2,5-dioxopyrrole-1-carboxamide
CID 139747978
3-Nonyl-2,5-dioxopyrrole-1-carboxamide
CID 139747979
3-(3-Methylbutyl)-2,5-dioxopyrrole-1-carboxamide
CID 139747983
3-Hexyl-2,5-dioxopyrrole-1-carboxamide
CID 139747984
3-(2-Ethylhexyl)-2,5-dioxopyrrole-1-carboxamide
CID 139747985
2,5-Dioxo-3-propan-2-ylpyrrole-1-carboxamide
CID 139747986

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide?
The IUPAC name of 3-(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide (CID 139747991) is 3-(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide is CC(C)(C)CC1=CC(=O)N(C(N)=O)C1=O.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide?
The InChIKey is JERKURWTSOMIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,3)5-6-4-7(13)12(8(6)14)9(11)15/h4H,5H2,1-3H3,(H2,11,15).
What are the key properties of 3-(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide?
3-(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide has a molecular weight of 210.23 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide is sourced from PubChem (CID 139747991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).