1H-azepine;hydroxylamine

C6H10N2O — CID 69297340

IUPAC1H-azepine;hydroxylamine
SMILESC1=CC=CNC=C1.NO
InChIInChI=1S/C6H7N.H3NO/c1-2-4-6-7-5-3-1;1-2/h1-7H;2H,1H2
InChIKeyHCRMFCJQOWTBOW-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.51
Rot. Bonds

About 1H-azepine;hydroxylamine

1H-azepine;hydroxylamine (PubChem CID 69297340) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1H-azepine;hydroxylamine.

Molecular Properties

Compound Name1H-azepine;hydroxylamine
PubChem CID69297340
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1H-azepine;hydroxylamine
SMILESC1=CC=CNC=C1.NO
InChIInChI=1S/C6H7N.H3NO/c1-2-4-6-7-5-3-1;1-2/h1-7H;2H,1H2
InChIKeyHCRMFCJQOWTBOW-UHFFFAOYSA-N
XLogP0.51
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-azepine;hydroxylamine?
The IUPAC name of 1H-azepine;hydroxylamine (CID 69297340) is 1H-azepine;hydroxylamine.
What is the SMILES notation for 1H-azepine;hydroxylamine?
The canonical SMILES for 1H-azepine;hydroxylamine is C1=CC=CNC=C1.NO.
What is the InChIKey of 1H-azepine;hydroxylamine?
The InChIKey is HCRMFCJQOWTBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.H3NO/c1-2-4-6-7-5-3-1;1-2/h1-7H;2H,1H2.
What are the key properties of 1H-azepine;hydroxylamine?
1H-azepine;hydroxylamine has a molecular weight of 126.16 g/mol, XLogP of 0.51, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepine;hydroxylamine is sourced from PubChem (CID 69297340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).