N-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine

C9H10N2O — CID 135742182

IUPACN-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine
SMILESON=C1CCCc2cnccc21
InChIInChI=1S/C9H10N2O/c12-11-9-3-1-2-7-6-10-5-4-8(7)9/h4-6,12H,1-3H2
InChIKeyODZAZPZPVLNASI-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.60
Rot. Bonds

About N-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine

N-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine (PubChem CID 135742182) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is N-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine
PubChem CID135742182
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC NameN-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine
SMILESON=C1CCCc2cnccc21
InChIInChI=1S/C9H10N2O/c12-11-9-3-1-2-7-6-10-5-4-8(7)9/h4-6,12H,1-3H2
InChIKeyODZAZPZPVLNASI-UHFFFAOYSA-N
XLogP1.60
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine?
The IUPAC name of N-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine (CID 135742182) is N-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine.
What is the SMILES notation for N-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine?
The canonical SMILES for N-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine is ON=C1CCCc2cnccc21.
What is the InChIKey of N-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine?
The InChIKey is ODZAZPZPVLNASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c12-11-9-3-1-2-7-6-10-5-4-8(7)9/h4-6,12H,1-3H2.
What are the key properties of N-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine?
N-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine has a molecular weight of 162.19 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8-dihydro-6H-isoquinolin-5-ylidene)hydroxylamine is sourced from PubChem (CID 135742182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).