5-hydroxyazepan-2-one

C6H11NO2 — CID 14609266

IUPAC5-hydroxyazepan-2-one
SMILESO=C1CCC(O)CCN1
InChIInChI=1S/C6H11NO2/c8-5-1-2-6(9)7-4-3-5/h5,8H,1-4H2,(H,7,9)
InChIKeyXBDAMCICMBRGSN-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.35
Rot. Bonds

About 5-hydroxyazepan-2-one

5-hydroxyazepan-2-one (PubChem CID 14609266) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 5-hydroxyazepan-2-one.

Molecular Properties

Compound Name5-hydroxyazepan-2-one
PubChem CID14609266
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name5-hydroxyazepan-2-one
SMILESO=C1CCC(O)CCN1
InChIInChI=1S/C6H11NO2/c8-5-1-2-6(9)7-4-3-5/h5,8H,1-4H2,(H,7,9)
InChIKeyXBDAMCICMBRGSN-UHFFFAOYSA-N
XLogP-0.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxyazepan-2-one?
The IUPAC name of 5-hydroxyazepan-2-one (CID 14609266) is 5-hydroxyazepan-2-one.
What is the SMILES notation for 5-hydroxyazepan-2-one?
The canonical SMILES for 5-hydroxyazepan-2-one is O=C1CCC(O)CCN1.
What is the InChIKey of 5-hydroxyazepan-2-one?
The InChIKey is XBDAMCICMBRGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-5-1-2-6(9)7-4-3-5/h5,8H,1-4H2,(H,7,9).
What are the key properties of 5-hydroxyazepan-2-one?
5-hydroxyazepan-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyazepan-2-one is sourced from PubChem (CID 14609266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).