4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide

C10H19NO4 — CID 75291951

IUPAC4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide
SMILESCCCC(O)C(O)C=CC(=O)N(C)OC
InChIInChI=1S/C10H19NO4/c1-4-5-8(12)9(13)6-7-10(14)11(2)15-3/h6-9,12-13H,4-5H2,1-3H3
InChIKeyHBMJPGHYGXFDTN-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.08
Rot. Bonds6

About 4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide

4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide (PubChem CID 75291951) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide.

Molecular Properties

Compound Name4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide
PubChem CID75291951
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide
SMILESCCCC(O)C(O)C=CC(=O)N(C)OC
InChIInChI=1S/C10H19NO4/c1-4-5-8(12)9(13)6-7-10(14)11(2)15-3/h6-9,12-13H,4-5H2,1-3H3
InChIKeyHBMJPGHYGXFDTN-UHFFFAOYSA-N
XLogP0.08
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide?
The IUPAC name of 4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide (CID 75291951) is 4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide.
What is the SMILES notation for 4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide?
The canonical SMILES for 4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide is CCCC(O)C(O)C=CC(=O)N(C)OC.
What is the InChIKey of 4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide?
The InChIKey is HBMJPGHYGXFDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-5-8(12)9(13)6-7-10(14)11(2)15-3/h6-9,12-13H,4-5H2,1-3H3.
What are the key properties of 4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide?
4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide has a molecular weight of 217.26 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide is sourced from PubChem (CID 75291951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).