(E,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide

C10H19NO2 — CID 118889729

IUPAC(E,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide
SMILESC/C=C/C[C@@H](C)[C@@H](O)CC(=O)NC
InChIInChI=1S/C10H19NO2/c1-4-5-6-8(2)9(12)7-10(13)11-3/h4-5,8-9,12H,6-7H2,1-3H3,(H,11,13)/b5-4+/t8-,9+/m1/s1
InChIKeyDPEDDMSKALAIGY-VJIGKBMESA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds5

About (E,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide

(E,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide (PubChem CID 118889729) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide.

Molecular Properties

Compound Name(E,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide
PubChem CID118889729
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide
SMILESC/C=C/C[C@@H](C)[C@@H](O)CC(=O)NC
InChIInChI=1S/C10H19NO2/c1-4-5-6-8(2)9(12)7-10(13)11-3/h4-5,8-9,12H,6-7H2,1-3H3,(H,11,13)/b5-4+/t8-,9+/m1/s1
InChIKeyDPEDDMSKALAIGY-VJIGKBMESA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide?
The IUPAC name of (E,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide (CID 118889729) is (E,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide.
What is the SMILES notation for (E,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide?
The canonical SMILES for (E,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide is C/C=C/C[C@@H](C)[C@@H](O)CC(=O)NC.
What is the InChIKey of (E,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide?
The InChIKey is DPEDDMSKALAIGY-VJIGKBMESA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-5-6-8(2)9(12)7-10(13)11-3/h4-5,8-9,12H,6-7H2,1-3H3,(H,11,13)/b5-4+/t8-,9+/m1/s1.
What are the key properties of (E,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide?
(E,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,4R)-3-hydroxy-N,4-dimethyloct-6-enamide is sourced from PubChem (CID 118889729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).