N-hydroxy-4,4-dimethylpent-2-enamide

C7H13NO2 — CID 72658892

IUPACN-hydroxy-4,4-dimethylpent-2-enamide
SMILESCC(C)(C)C=CC(=O)NO
InChIInChI=1S/C7H13NO2/c1-7(2,3)5-4-6(9)8-10/h4-5,10H,1-3H3,(H,8,9)
InChIKeyWCRLDXIMOCAKEE-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.09
Rot. Bonds1

About N-hydroxy-4,4-dimethylpent-2-enamide

N-hydroxy-4,4-dimethylpent-2-enamide (PubChem CID 72658892) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-hydroxy-4,4-dimethylpent-2-enamide.

Molecular Properties

Compound NameN-hydroxy-4,4-dimethylpent-2-enamide
PubChem CID72658892
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-hydroxy-4,4-dimethylpent-2-enamide
SMILESCC(C)(C)C=CC(=O)NO
InChIInChI=1S/C7H13NO2/c1-7(2,3)5-4-6(9)8-10/h4-5,10H,1-3H3,(H,8,9)
InChIKeyWCRLDXIMOCAKEE-UHFFFAOYSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4,4-dimethylpent-2-enamide?
The IUPAC name of N-hydroxy-4,4-dimethylpent-2-enamide (CID 72658892) is N-hydroxy-4,4-dimethylpent-2-enamide.
What is the SMILES notation for N-hydroxy-4,4-dimethylpent-2-enamide?
The canonical SMILES for N-hydroxy-4,4-dimethylpent-2-enamide is CC(C)(C)C=CC(=O)NO.
What is the InChIKey of N-hydroxy-4,4-dimethylpent-2-enamide?
The InChIKey is WCRLDXIMOCAKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2,3)5-4-6(9)8-10/h4-5,10H,1-3H3,(H,8,9).
What are the key properties of N-hydroxy-4,4-dimethylpent-2-enamide?
N-hydroxy-4,4-dimethylpent-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4,4-dimethylpent-2-enamide is sourced from PubChem (CID 72658892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).