1-hydroxy-3H-azepin-2-one

C6H7NO2 — CID 18360057

IUPAC1-hydroxy-3H-azepin-2-one
SMILESO=C1CC=CC=CN1O
InChIInChI=1S/C6H7NO2/c8-6-4-2-1-3-5-7(6)9/h1-3,5,9H,4H2
InChIKeyCFQNLUUTBDWMDE-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.68
Rot. Bonds

About 1-hydroxy-3H-azepin-2-one

1-hydroxy-3H-azepin-2-one (PubChem CID 18360057) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 1-hydroxy-3H-azepin-2-one.

Molecular Properties

Compound Name1-hydroxy-3H-azepin-2-one
PubChem CID18360057
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name1-hydroxy-3H-azepin-2-one
SMILESO=C1CC=CC=CN1O
InChIInChI=1S/C6H7NO2/c8-6-4-2-1-3-5-7(6)9/h1-3,5,9H,4H2
InChIKeyCFQNLUUTBDWMDE-UHFFFAOYSA-N
XLogP0.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3H-azepin-2-one?
The IUPAC name of 1-hydroxy-3H-azepin-2-one (CID 18360057) is 1-hydroxy-3H-azepin-2-one.
What is the SMILES notation for 1-hydroxy-3H-azepin-2-one?
The canonical SMILES for 1-hydroxy-3H-azepin-2-one is O=C1CC=CC=CN1O.
What is the InChIKey of 1-hydroxy-3H-azepin-2-one?
The InChIKey is CFQNLUUTBDWMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c8-6-4-2-1-3-5-7(6)9/h1-3,5,9H,4H2.
What are the key properties of 1-hydroxy-3H-azepin-2-one?
1-hydroxy-3H-azepin-2-one has a molecular weight of 125.13 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3H-azepin-2-one is sourced from PubChem (CID 18360057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).