bicyclo[2.2.0]hexa-1,3,5-triene;hydroxylamine

C6H7NO — CID 70018631

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;hydroxylamine
SMILESNO.c1cc2ccc1-2
InChIInChI=1S/C6H4.H3NO/c1-2-6-4-3-5(1)6;1-2/h1-4H;2H,1H2
InChIKeyBXZQBHUXLZTUCM-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.00
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;hydroxylamine

bicyclo[2.2.0]hexa-1,3,5-triene;hydroxylamine (PubChem CID 70018631) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;hydroxylamine.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;hydroxylamine
PubChem CID70018631
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;hydroxylamine
SMILESNO.c1cc2ccc1-2
InChIInChI=1S/C6H4.H3NO/c1-2-6-4-3-5(1)6;1-2/h1-4H;2H,1H2
InChIKeyBXZQBHUXLZTUCM-UHFFFAOYSA-N
XLogP1.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 bicyclo[2.2.0]hexa-1,3,5-triene;hydroxylamine?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;hydroxylamine (CID 70018631) is bicyclo[2.2.0]hexa-1,3,5-triene;hydroxylamine.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;hydroxylamine?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;hydroxylamine is NO.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;hydroxylamine?
The InChIKey is BXZQBHUXLZTUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.H3NO/c1-2-6-4-3-5(1)6;1-2/h1-4H;2H,1H2.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;hydroxylamine?
bicyclo[2.2.0]hexa-1,3,5-triene;hydroxylamine has a molecular weight of 109.13 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;hydroxylamine is sourced from PubChem (CID 70018631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).