(NZ)-N-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylidene]hydroxylamine

C10H11NO — CID 6506666

IUPAC(NZ)-N-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylidene]hydroxylamine
SMILESC/C(=N/O)C1Cc2ccccc21
InChIInChI=1S/C10H11NO/c1-7(11-12)10-6-8-4-2-3-5-9(8)10/h2-5,10,12H,6H2,1H3/b11-7-
InChIKeyOEECJXXNEJIBMM-XFFZJAGNSA-N
MW161.20 g/mol
LogP2.18
Rot. Bonds1

About (NZ)-N-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylidene]hydroxylamine

(NZ)-N-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylidene]hydroxylamine (PubChem CID 6506666) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (NZ)-N-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylidene]hydroxylamine
PubChem CID6506666
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(NZ)-N-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylidene]hydroxylamine
SMILESC/C(=N/O)C1Cc2ccccc21
InChIInChI=1S/C10H11NO/c1-7(11-12)10-6-8-4-2-3-5-9(8)10/h2-5,10,12H,6H2,1H3/b11-7-
InChIKeyOEECJXXNEJIBMM-XFFZJAGNSA-N
XLogP2.18
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylidene]hydroxylamine (CID 6506666) is (NZ)-N-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylidene]hydroxylamine is C/C(=N/O)C1Cc2ccccc21.
What is the InChIKey of (NZ)-N-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylidene]hydroxylamine?
The InChIKey is OEECJXXNEJIBMM-XFFZJAGNSA-N. The full InChI is InChI=1S/C10H11NO/c1-7(11-12)10-6-8-4-2-3-5-9(8)10/h2-5,10,12H,6H2,1H3/b11-7-.
What are the key properties of (NZ)-N-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylidene]hydroxylamine?
(NZ)-N-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylidene]hydroxylamine has a molecular weight of 161.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylidene]hydroxylamine is sourced from PubChem (CID 6506666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).