N-hydroxy-2-methylhexa-2,5-dienamide

C7H11NO2 — CID 173014431

IUPACN-hydroxy-2-methylhexa-2,5-dienamide
SMILESC=CCC=C(C)C(=O)NO
InChIInChI=1S/C7H11NO2/c1-3-4-5-6(2)7(9)8-10/h3,5,10H,1,4H2,2H3,(H,8,9)
InChIKeyJIYNAZMCSLRKDE-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.01
Rot. Bonds3

About N-hydroxy-2-methylhexa-2,5-dienamide

N-hydroxy-2-methylhexa-2,5-dienamide (PubChem CID 173014431) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-hydroxy-2-methylhexa-2,5-dienamide.

Molecular Properties

Compound NameN-hydroxy-2-methylhexa-2,5-dienamide
PubChem CID173014431
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-hydroxy-2-methylhexa-2,5-dienamide
SMILESC=CCC=C(C)C(=O)NO
InChIInChI=1S/C7H11NO2/c1-3-4-5-6(2)7(9)8-10/h3,5,10H,1,4H2,2H3,(H,8,9)
InChIKeyJIYNAZMCSLRKDE-UHFFFAOYSA-N
XLogP1.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-2-methylhexa-2,5-dienamide?
The IUPAC name of N-hydroxy-2-methylhexa-2,5-dienamide (CID 173014431) is N-hydroxy-2-methylhexa-2,5-dienamide.
What is the SMILES notation for N-hydroxy-2-methylhexa-2,5-dienamide?
The canonical SMILES for N-hydroxy-2-methylhexa-2,5-dienamide is C=CCC=C(C)C(=O)NO.
What is the InChIKey of N-hydroxy-2-methylhexa-2,5-dienamide?
The InChIKey is JIYNAZMCSLRKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-5-6(2)7(9)8-10/h3,5,10H,1,4H2,2H3,(H,8,9).
What are the key properties of N-hydroxy-2-methylhexa-2,5-dienamide?
N-hydroxy-2-methylhexa-2,5-dienamide has a molecular weight of 141.17 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methylhexa-2,5-dienamide is sourced from PubChem (CID 173014431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).