3-(5-hydroxypentyl)azepan-2-one

C11H21NO2 — CID 104679507

IUPAC3-(5-hydroxypentyl)azepan-2-one
SMILESO=C1NCCCCC1CCCCCO
InChIInChI=1S/C11H21NO2/c13-9-5-1-2-6-10-7-3-4-8-12-11(10)14/h10,13H,1-9H2,(H,12,14)
InChIKeyHSJLAMCZCJOPNY-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.46
Rot. Bonds5

About 3-(5-hydroxypentyl)azepan-2-one

3-(5-hydroxypentyl)azepan-2-one (PubChem CID 104679507) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(5-hydroxypentyl)azepan-2-one.

Molecular Properties

Compound Name3-(5-hydroxypentyl)azepan-2-one
PubChem CID104679507
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(5-hydroxypentyl)azepan-2-one
SMILESO=C1NCCCCC1CCCCCO
InChIInChI=1S/C11H21NO2/c13-9-5-1-2-6-10-7-3-4-8-12-11(10)14/h10,13H,1-9H2,(H,12,14)
InChIKeyHSJLAMCZCJOPNY-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-hydroxypentyl)pyrrolidin-2-one
CID 104679269
3-dodecylpiperidin-2-one
CID 67992079
3-[2-(2-hydroxyethylsulfanyl)ethyl]azepan-2-one
CID 141003947
3-(3-methylbut-3-enyl)azepan-2-one
CID 114477837
(3S)-3-(2-amino-2-hydroxyethyl)azepan-2-one
CID 68951784
3-[2-(trifluoromethoxy)ethyl]azepan-2-one
CID 104679592
3-(2,2-difluoroethyl)azepan-2-one
CID 104679699
3-prop-2-ynylazepan-2-one
CID 104679576
methyl (2-oxoazepan-3-yl)methyl carbonate
CID 139614843
3-[2-(2-methoxyethoxy)ethyl]azepan-2-one
CID 104679615
3-(cyclohexylmethyl)piperidin-2-one
CID 104679133
3-(2-hydroxy-3-methylbutyl)azepan-2-one
CID 130495542

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxypentyl)azepan-2-one?
The IUPAC name of 3-(5-hydroxypentyl)azepan-2-one (CID 104679507) is 3-(5-hydroxypentyl)azepan-2-one.
What is the SMILES notation for 3-(5-hydroxypentyl)azepan-2-one?
The canonical SMILES for 3-(5-hydroxypentyl)azepan-2-one is O=C1NCCCCC1CCCCCO.
What is the InChIKey of 3-(5-hydroxypentyl)azepan-2-one?
The InChIKey is HSJLAMCZCJOPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c13-9-5-1-2-6-10-7-3-4-8-12-11(10)14/h10,13H,1-9H2,(H,12,14).
What are the key properties of 3-(5-hydroxypentyl)azepan-2-one?
3-(5-hydroxypentyl)azepan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxypentyl)azepan-2-one is sourced from PubChem (CID 104679507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).