3-[(1-carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide

C11H8N4O6 — CID 23618677

IUPAC3-[(1-carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide
SMILESNC(=O)N1C(=O)C=C(CC2=CC(=O)N(C(N)=O)C2=O)C1=O
InChIInChI=1S/C11H8N4O6/c12-10(20)14-6(16)2-4(8(14)18)1-5-3-7(17)15(9(5)19)11(13)21/h2-3H,1H2,(H2,12,20)(H2,13,21)
InChIKeyLNAGPXAKYUYSRV-UHFFFAOYSA-N
MW292.21 g/mol
LogP-1.88
Rot. Bonds2

About 3-[(1-carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide

3-[(1-carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide (PubChem CID 23618677) has the molecular formula C11H8N4O6 and a molecular weight of 292.21 g/mol. Its IUPAC name is 3-[(1-carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide.

Molecular Properties

Compound Name3-[(1-carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide
PubChem CID23618677
Molecular FormulaC11H8N4O6
Molecular Weight292.21 g/mol
Exact Mass292.04
IUPAC Name3-[(1-carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide
SMILESNC(=O)N1C(=O)C=C(CC2=CC(=O)N(C(N)=O)C2=O)C1=O
InChIInChI=1S/C11H8N4O6/c12-10(20)14-6(16)2-4(8(14)18)1-5-3-7(17)15(9(5)19)11(13)21/h2-3H,1H2,(H2,12,20)(H2,13,21)
InChIKeyLNAGPXAKYUYSRV-UHFFFAOYSA-N
XLogP-1.88
TPSA160.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,5-Dioxopyrrol-3-yl)methyl]pyrrole-2,5-dione
CID 19831699
3-(2-Methylpropyl)-2,5-dioxopyrrole-1-carboxamide
CID 139747969
3-(2,2-Dimethylpropyl)-2,5-dioxopyrrole-1-carboxamide
CID 139747991
3-Butyl-2,5-dioxopyrrole-1-carboxamide
CID 139747998
2,5-Dioxo-3-propylpyrrole-1-carboxamide
CID 139747999
3-Butan-2-yl-2,5-dioxopyrrole-1-carboxamide
CID 139748003
2,5-Dioxo-3-pentylpyrrole-1-carboxamide
CID 139748005

Frequently Asked Questions

What is the IUPAC name of 3-[(1-carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide?
The IUPAC name of 3-[(1-carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide (CID 23618677) is 3-[(1-carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide.
What is the SMILES notation for 3-[(1-carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide?
The canonical SMILES for 3-[(1-carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide is NC(=O)N1C(=O)C=C(CC2=CC(=O)N(C(N)=O)C2=O)C1=O.
What is the InChIKey of 3-[(1-carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide?
The InChIKey is LNAGPXAKYUYSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O6/c12-10(20)14-6(16)2-4(8(14)18)1-5-3-7(17)15(9(5)19)11(13)21/h2-3H,1H2,(H2,12,20)(H2,13,21).
What are the key properties of 3-[(1-carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide?
3-[(1-carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide has a molecular weight of 292.21 g/mol, XLogP of -1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-carbamoyl-2,5-dioxopyrrol-3-yl)methyl]-2,5-dioxopyrrole-1-carboxamide is sourced from PubChem (CID 23618677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).