N'-hydroxy-N'-prop-2-enoylbutanediamide

C7H10N2O4 — CID 151385542

IUPACN'-hydroxy-N'-prop-2-enoylbutanediamide
SMILESC=CC(=O)N(O)C(=O)CCC(N)=O
InChIInChI=1S/C7H10N2O4/c1-2-6(11)9(13)7(12)4-3-5(8)10/h2,13H,1,3-4H2,(H2,8,10)
InChIKeyOTHZKJVUAXOPAO-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.82
Rot. Bonds4

About N'-hydroxy-N'-prop-2-enoylbutanediamide

N'-hydroxy-N'-prop-2-enoylbutanediamide (PubChem CID 151385542) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is N'-hydroxy-N'-prop-2-enoylbutanediamide.

Molecular Properties

Compound NameN'-hydroxy-N'-prop-2-enoylbutanediamide
PubChem CID151385542
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC NameN'-hydroxy-N'-prop-2-enoylbutanediamide
SMILESC=CC(=O)N(O)C(=O)CCC(N)=O
InChIInChI=1S/C7H10N2O4/c1-2-6(11)9(13)7(12)4-3-5(8)10/h2,13H,1,3-4H2,(H2,8,10)
InChIKeyOTHZKJVUAXOPAO-UHFFFAOYSA-N
XLogP-0.82
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-N'-prop-2-enoylbutanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 19989411
1-Hydroxypyrrolidine-2,5-dione;prop-2-enamide
CID 67303287
N'-hydroxy-N'-(2-methylprop-2-enoyl)butanediamide
CID 151002740
N'-hydroxybutanediamide;pyrrole-2,5-dione
CID 159614387
N'-hydroxybutanediamide;prop-2-enamide
CID 174613552
N'-prop-2-enoylbutanediamide
CID 85679721

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N'-prop-2-enoylbutanediamide?
The IUPAC name of N'-hydroxy-N'-prop-2-enoylbutanediamide (CID 151385542) is N'-hydroxy-N'-prop-2-enoylbutanediamide.
What is the SMILES notation for N'-hydroxy-N'-prop-2-enoylbutanediamide?
The canonical SMILES for N'-hydroxy-N'-prop-2-enoylbutanediamide is C=CC(=O)N(O)C(=O)CCC(N)=O.
What is the InChIKey of N'-hydroxy-N'-prop-2-enoylbutanediamide?
The InChIKey is OTHZKJVUAXOPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-2-6(11)9(13)7(12)4-3-5(8)10/h2,13H,1,3-4H2,(H2,8,10).
What are the key properties of N'-hydroxy-N'-prop-2-enoylbutanediamide?
N'-hydroxy-N'-prop-2-enoylbutanediamide has a molecular weight of 186.17 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N'-prop-2-enoylbutanediamide is sourced from PubChem (CID 151385542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).