6-prop-2-ynoxyhexanamide

C9H15NO2 — CID 91208920

IUPAC6-prop-2-ynoxyhexanamide
SMILESC#CCOCCCCCC(N)=O
InChIInChI=1S/C9H15NO2/c1-2-7-12-8-5-3-4-6-9(10)11/h1H,3-8H2,(H2,10,11)
InChIKeyOMVIQBQWIVJJDV-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.68
Rot. Bonds7

About 6-prop-2-ynoxyhexanamide

6-prop-2-ynoxyhexanamide (PubChem CID 91208920) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 6-prop-2-ynoxyhexanamide.

Molecular Properties

Compound Name6-prop-2-ynoxyhexanamide
PubChem CID91208920
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name6-prop-2-ynoxyhexanamide
SMILESC#CCOCCCCCC(N)=O
InChIInChI=1S/C9H15NO2/c1-2-7-12-8-5-3-4-6-9(10)11/h1H,3-8H2,(H2,10,11)
InChIKeyOMVIQBQWIVJJDV-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-prop-2-ynoxyhexanamide?
The IUPAC name of 6-prop-2-ynoxyhexanamide (CID 91208920) is 6-prop-2-ynoxyhexanamide.
What is the SMILES notation for 6-prop-2-ynoxyhexanamide?
The canonical SMILES for 6-prop-2-ynoxyhexanamide is C#CCOCCCCCC(N)=O.
What is the InChIKey of 6-prop-2-ynoxyhexanamide?
The InChIKey is OMVIQBQWIVJJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-7-12-8-5-3-4-6-9(10)11/h1H,3-8H2,(H2,10,11).
What are the key properties of 6-prop-2-ynoxyhexanamide?
6-prop-2-ynoxyhexanamide has a molecular weight of 169.22 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-ynoxyhexanamide is sourced from PubChem (CID 91208920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).