N-[[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide

C11H8N4O6 — CID 23411

IUPACN-[[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide
SMILESO=C1C=CC(=O)N1C(=O)NCNC(=O)N1C(=O)C=CC1=O
InChIInChI=1S/C11H8N4O6/c16-6-1-2-7(17)14(6)10(20)12-5-13-11(21)15-8(18)3-4-9(15)19/h1-4H,5H2,(H,12,20)(H,13,21)
InChIKeyVZRYBANKEUAUFR-UHFFFAOYSA-N
MW292.21 g/mol
LogP-1.79
Rot. Bonds2

About N-[[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide

N-[[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide (PubChem CID 23411) has the molecular formula C11H8N4O6 and a molecular weight of 292.21 g/mol. Its IUPAC name is N-[[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide.

Molecular Properties

Compound NameN-[[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide
PubChem CID23411
Molecular FormulaC11H8N4O6
Molecular Weight292.21 g/mol
Exact Mass292.04
IUPAC NameN-[[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide
SMILESO=C1C=CC(=O)N1C(=O)NCNC(=O)N1C(=O)C=CC1=O
InChIInChI=1S/C11H8N4O6/c16-6-1-2-7(17)14(6)10(20)12-5-13-11(21)15-8(18)3-4-9(15)19/h1-4H,5H2,(H,12,20)(H,13,21)
InChIKeyVZRYBANKEUAUFR-UHFFFAOYSA-N
XLogP-1.79
TPSA132.96 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 ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide?
The IUPAC name of N-[[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide (CID 23411) is N-[[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide.
What is the SMILES notation for N-[[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide?
The canonical SMILES for N-[[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide is O=C1C=CC(=O)N1C(=O)NCNC(=O)N1C(=O)C=CC1=O.
What is the InChIKey of N-[[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide?
The InChIKey is VZRYBANKEUAUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O6/c16-6-1-2-7(17)14(6)10(20)12-5-13-11(21)15-8(18)3-4-9(15)19/h1-4H,5H2,(H,12,20)(H,13,21).
What are the key properties of N-[[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide?
N-[[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide has a molecular weight of 292.21 g/mol, XLogP of -1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]-2,5-dioxopyrrole-1-carboxamide is sourced from PubChem (CID 23411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).