N-hydroxy-3,7-dimethyloct-6-enamide

C10H19NO2 — CID 119088732

IUPACN-hydroxy-3,7-dimethyloct-6-enamide
SMILESCC(C)=CCCC(C)CC(=O)NO
InChIInChI=1S/C10H19NO2/c1-8(2)5-4-6-9(3)7-10(12)11-13/h5,9,13H,4,6-7H2,1-3H3,(H,11,12)
InChIKeyNTLKRLHBQINJMJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.26
Rot. Bonds5

About N-hydroxy-3,7-dimethyloct-6-enamide

N-hydroxy-3,7-dimethyloct-6-enamide (PubChem CID 119088732) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-hydroxy-3,7-dimethyloct-6-enamide.

Molecular Properties

Compound NameN-hydroxy-3,7-dimethyloct-6-enamide
PubChem CID119088732
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-hydroxy-3,7-dimethyloct-6-enamide
SMILESCC(C)=CCCC(C)CC(=O)NO
InChIInChI=1S/C10H19NO2/c1-8(2)5-4-6-9(3)7-10(12)11-13/h5,9,13H,4,6-7H2,1-3H3,(H,11,12)
InChIKeyNTLKRLHBQINJMJ-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.26
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3,7-dimethyloct-6-enamide?
The IUPAC name of N-hydroxy-3,7-dimethyloct-6-enamide (CID 119088732) is N-hydroxy-3,7-dimethyloct-6-enamide.
What is the SMILES notation for N-hydroxy-3,7-dimethyloct-6-enamide?
The canonical SMILES for N-hydroxy-3,7-dimethyloct-6-enamide is CC(C)=CCCC(C)CC(=O)NO.
What is the InChIKey of N-hydroxy-3,7-dimethyloct-6-enamide?
The InChIKey is NTLKRLHBQINJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)5-4-6-9(3)7-10(12)11-13/h5,9,13H,4,6-7H2,1-3H3,(H,11,12).
What are the key properties of N-hydroxy-3,7-dimethyloct-6-enamide?
N-hydroxy-3,7-dimethyloct-6-enamide has a molecular weight of 185.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3,7-dimethyloct-6-enamide is sourced from PubChem (CID 119088732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).