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

C6H8N2O2 — CID 70235739

IUPAC3-amino-1-hydroxy-3H-azepin-2-one
SMILESNC1C=CC=CN(O)C1=O
InChIInChI=1S/C6H8N2O2/c7-5-3-1-2-4-8(10)6(5)9/h1-5,10H,7H2
InChIKeyWBXIUQGEZPKETL-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.38
Rot. Bonds

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

3-amino-1-hydroxy-3H-azepin-2-one (PubChem CID 70235739) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-amino-1-hydroxy-3H-azepin-2-one.

Molecular Properties

Compound Name3-amino-1-hydroxy-3H-azepin-2-one
PubChem CID70235739
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-amino-1-hydroxy-3H-azepin-2-one
SMILESNC1C=CC=CN(O)C1=O
InChIInChI=1S/C6H8N2O2/c7-5-3-1-2-4-8(10)6(5)9/h1-5,10H,7H2
InChIKeyWBXIUQGEZPKETL-UHFFFAOYSA-N
XLogP-0.38
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-amino-1-hydroxy-3H-azepin-2-one?
The IUPAC name of 3-amino-1-hydroxy-3H-azepin-2-one (CID 70235739) is 3-amino-1-hydroxy-3H-azepin-2-one.
What is the SMILES notation for 3-amino-1-hydroxy-3H-azepin-2-one?
The canonical SMILES for 3-amino-1-hydroxy-3H-azepin-2-one is NC1C=CC=CN(O)C1=O.
What is the InChIKey of 3-amino-1-hydroxy-3H-azepin-2-one?
The InChIKey is WBXIUQGEZPKETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-5-3-1-2-4-8(10)6(5)9/h1-5,10H,7H2.
What are the key properties of 3-amino-1-hydroxy-3H-azepin-2-one?
3-amino-1-hydroxy-3H-azepin-2-one has a molecular weight of 140.14 g/mol, XLogP of -0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-hydroxy-3H-azepin-2-one is sourced from PubChem (CID 70235739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).