(E)-4,7-dihydroxy-N,N,4-trimethylhept-5-enamide

C10H19NO3 — CID 118225402

IUPAC(E)-4,7-dihydroxy-N,N,4-trimethylhept-5-enamide
SMILESCN(C)C(=O)CCC(C)(O)/C=C/CO
InChIInChI=1S/C10H19NO3/c1-10(14,6-4-8-12)7-5-9(13)11(2)3/h4,6,12,14H,5,7-8H2,1-3H3/b6-4+
InChIKeyFILLBYPLCLCLRS-GQCTYLIASA-N
MW201.27 g/mol
LogP0.15
Rot. Bonds5

About (E)-4,7-dihydroxy-N,N,4-trimethylhept-5-enamide

(E)-4,7-dihydroxy-N,N,4-trimethylhept-5-enamide (PubChem CID 118225402) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (E)-4,7-dihydroxy-N,N,4-trimethylhept-5-enamide.

Molecular Properties

Compound Name(E)-4,7-dihydroxy-N,N,4-trimethylhept-5-enamide
PubChem CID118225402
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(E)-4,7-dihydroxy-N,N,4-trimethylhept-5-enamide
SMILESCN(C)C(=O)CCC(C)(O)/C=C/CO
InChIInChI=1S/C10H19NO3/c1-10(14,6-4-8-12)7-5-9(13)11(2)3/h4,6,12,14H,5,7-8H2,1-3H3/b6-4+
InChIKeyFILLBYPLCLCLRS-GQCTYLIASA-N
XLogP0.15
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4,7-dihydroxy-N,N,4-trimethylhept-5-enamide?
The IUPAC name of (E)-4,7-dihydroxy-N,N,4-trimethylhept-5-enamide (CID 118225402) is (E)-4,7-dihydroxy-N,N,4-trimethylhept-5-enamide.
What is the SMILES notation for (E)-4,7-dihydroxy-N,N,4-trimethylhept-5-enamide?
The canonical SMILES for (E)-4,7-dihydroxy-N,N,4-trimethylhept-5-enamide is CN(C)C(=O)CCC(C)(O)/C=C/CO.
What is the InChIKey of (E)-4,7-dihydroxy-N,N,4-trimethylhept-5-enamide?
The InChIKey is FILLBYPLCLCLRS-GQCTYLIASA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(14,6-4-8-12)7-5-9(13)11(2)3/h4,6,12,14H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of (E)-4,7-dihydroxy-N,N,4-trimethylhept-5-enamide?
(E)-4,7-dihydroxy-N,N,4-trimethylhept-5-enamide has a molecular weight of 201.27 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,7-dihydroxy-N,N,4-trimethylhept-5-enamide is sourced from PubChem (CID 118225402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).