N'-hydroxybutanediamide;pyrrole-2,5-dione

C8H11N3O5 — CID 159614387

IUPACN'-hydroxybutanediamide;pyrrole-2,5-dione
SMILESNC(=O)CCC(=O)NO.O=C1C=CC(=O)N1
InChIInChI=1S/C4H8N2O3.C4H3NO2/c5-3(7)1-2-4(8)6-9;6-3-1-2-4(7)5-3/h9H,1-2H2,(H2,5,7)(H,6,8);1-2H,(H,5,6,7)
InChIKeyMNCGYNOGBVXAEE-UHFFFAOYSA-N
MW229.19 g/mol
LogP-2.04
Rot. Bonds3

About N'-hydroxybutanediamide;pyrrole-2,5-dione

N'-hydroxybutanediamide;pyrrole-2,5-dione (PubChem CID 159614387) has the molecular formula C8H11N3O5 and a molecular weight of 229.19 g/mol. Its IUPAC name is N'-hydroxybutanediamide;pyrrole-2,5-dione.

Molecular Properties

Compound NameN'-hydroxybutanediamide;pyrrole-2,5-dione
PubChem CID159614387
Molecular FormulaC8H11N3O5
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC NameN'-hydroxybutanediamide;pyrrole-2,5-dione
SMILESNC(=O)CCC(=O)NO.O=C1C=CC(=O)N1
InChIInChI=1S/C4H8N2O3.C4H3NO2/c5-3(7)1-2-4(8)6-9;6-3-1-2-4(7)5-3/h9H,1-2H2,(H2,5,7)(H,6,8);1-2H,(H,5,6,7)
InChIKeyMNCGYNOGBVXAEE-UHFFFAOYSA-N
XLogP-2.04
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-2.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-Hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 19989411
4-(2,5-dioxopyrrol-1-yl)-N-hydroxybutanamide
CID 20274821
Pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 67242374
1-Hydroxypyrrolidine-2,5-dione;prop-2-enamide
CID 67303287
Azane;pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 69713789
N'-hydroxy-N'-prop-2-enoylbutanediamide
CID 151385542
4-(2,5-Dioxopyrrol-1-yl)-4-oxobutanamide
CID 154928995
1-Hydroxypyrrole-2,5-dione;pyrrole-2,5-dione
CID 161995089
N'-hexanoyl-N'-hydroxybutanediamide;pyrrole-2,5-dione
CID 174723922
1-aminopyrrole-2,5-dione;N'-hydroxybutanediamide
CID 174732201
(2,5-dioxopyrrol-1-yl) acetate;N'-hydroxybutanediamide
CID 175240209

Frequently Asked Questions

What is the IUPAC name of N'-hydroxybutanediamide;pyrrole-2,5-dione?
The IUPAC name of N'-hydroxybutanediamide;pyrrole-2,5-dione (CID 159614387) is N'-hydroxybutanediamide;pyrrole-2,5-dione.
What is the SMILES notation for N'-hydroxybutanediamide;pyrrole-2,5-dione?
The canonical SMILES for N'-hydroxybutanediamide;pyrrole-2,5-dione is NC(=O)CCC(=O)NO.O=C1C=CC(=O)N1.
What is the InChIKey of N'-hydroxybutanediamide;pyrrole-2,5-dione?
The InChIKey is MNCGYNOGBVXAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3.C4H3NO2/c5-3(7)1-2-4(8)6-9;6-3-1-2-4(7)5-3/h9H,1-2H2,(H2,5,7)(H,6,8);1-2H,(H,5,6,7).
What are the key properties of N'-hydroxybutanediamide;pyrrole-2,5-dione?
N'-hydroxybutanediamide;pyrrole-2,5-dione has a molecular weight of 229.19 g/mol, XLogP of -2.04, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxybutanediamide;pyrrole-2,5-dione is sourced from PubChem (CID 159614387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).