2-(1-hydroxyhex-5-enoxy)benzamide

C13H17NO3 — CID 145277814

IUPAC2-(1-hydroxyhex-5-enoxy)benzamide
SMILESC=CCCCC(O)Oc1ccccc1C(N)=O
InChIInChI=1S/C13H17NO3/c1-2-3-4-9-12(15)17-11-8-6-5-7-10(11)13(14)16/h2,5-8,12,15H,1,3-4,9H2,(H2,14,16)
InChIKeyYVQRRFJUEKOAJK-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.84
Rot. Bonds7

About 2-(1-hydroxyhex-5-enoxy)benzamide

2-(1-hydroxyhex-5-enoxy)benzamide (PubChem CID 145277814) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(1-hydroxyhex-5-enoxy)benzamide.

Molecular Properties

Compound Name2-(1-hydroxyhex-5-enoxy)benzamide
PubChem CID145277814
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(1-hydroxyhex-5-enoxy)benzamide
SMILESC=CCCCC(O)Oc1ccccc1C(N)=O
InChIInChI=1S/C13H17NO3/c1-2-3-4-9-12(15)17-11-8-6-5-7-10(11)13(14)16/h2,5-8,12,15H,1,3-4,9H2,(H2,14,16)
InChIKeyYVQRRFJUEKOAJK-UHFFFAOYSA-N
XLogP1.84
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyhex-5-enoxy)benzamide?
The IUPAC name of 2-(1-hydroxyhex-5-enoxy)benzamide (CID 145277814) is 2-(1-hydroxyhex-5-enoxy)benzamide.
What is the SMILES notation for 2-(1-hydroxyhex-5-enoxy)benzamide?
The canonical SMILES for 2-(1-hydroxyhex-5-enoxy)benzamide is C=CCCCC(O)Oc1ccccc1C(N)=O.
What is the InChIKey of 2-(1-hydroxyhex-5-enoxy)benzamide?
The InChIKey is YVQRRFJUEKOAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-3-4-9-12(15)17-11-8-6-5-7-10(11)13(14)16/h2,5-8,12,15H,1,3-4,9H2,(H2,14,16).
What are the key properties of 2-(1-hydroxyhex-5-enoxy)benzamide?
2-(1-hydroxyhex-5-enoxy)benzamide has a molecular weight of 235.28 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyhex-5-enoxy)benzamide is sourced from PubChem (CID 145277814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).