N'-hydroxy-N'-(2-methylprop-2-enoyl)butanediamide

C8H12N2O4 — CID 151002740

IUPACN'-hydroxy-N'-(2-methylprop-2-enoyl)butanediamide
SMILESC=C(C)C(=O)N(O)C(=O)CCC(N)=O
InChIInChI=1S/C8H12N2O4/c1-5(2)8(13)10(14)7(12)4-3-6(9)11/h14H,1,3-4H2,2H3,(H2,9,11)
InChIKeyLULLKKZMFAYLNI-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.43
Rot. Bonds4

About N'-hydroxy-N'-(2-methylprop-2-enoyl)butanediamide

N'-hydroxy-N'-(2-methylprop-2-enoyl)butanediamide (PubChem CID 151002740) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is N'-hydroxy-N'-(2-methylprop-2-enoyl)butanediamide.

Molecular Properties

Compound NameN'-hydroxy-N'-(2-methylprop-2-enoyl)butanediamide
PubChem CID151002740
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC NameN'-hydroxy-N'-(2-methylprop-2-enoyl)butanediamide
SMILESC=C(C)C(=O)N(O)C(=O)CCC(N)=O
InChIInChI=1S/C8H12N2O4/c1-5(2)8(13)10(14)7(12)4-3-6(9)11/h14H,1,3-4H2,2H3,(H2,9,11)
InChIKeyLULLKKZMFAYLNI-UHFFFAOYSA-N
XLogP-0.43
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.43
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'}

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Related Compounds

N'-(2-methylprop-2-enoyl)butanediamide
CID 132112572
N'-hydroxy-N'-prop-2-enoylbutanediamide
CID 151385542

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N'-(2-methylprop-2-enoyl)butanediamide?
The IUPAC name of N'-hydroxy-N'-(2-methylprop-2-enoyl)butanediamide (CID 151002740) is N'-hydroxy-N'-(2-methylprop-2-enoyl)butanediamide.
What is the SMILES notation for N'-hydroxy-N'-(2-methylprop-2-enoyl)butanediamide?
The canonical SMILES for N'-hydroxy-N'-(2-methylprop-2-enoyl)butanediamide is C=C(C)C(=O)N(O)C(=O)CCC(N)=O.
What is the InChIKey of N'-hydroxy-N'-(2-methylprop-2-enoyl)butanediamide?
The InChIKey is LULLKKZMFAYLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-5(2)8(13)10(14)7(12)4-3-6(9)11/h14H,1,3-4H2,2H3,(H2,9,11).
What are the key properties of N'-hydroxy-N'-(2-methylprop-2-enoyl)butanediamide?
N'-hydroxy-N'-(2-methylprop-2-enoyl)butanediamide has a molecular weight of 200.19 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N'-(2-methylprop-2-enoyl)butanediamide is sourced from PubChem (CID 151002740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).