N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine

C9H10N2O — CID 87522084

IUPACN-(3,4-dihydroisoquinolin-1-yl)hydroxylamine
SMILESONC1=NCCc2ccccc21
InChIInChI=1S/C9H10N2O/c12-11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4,12H,5-6H2,(H,10,11)
InChIKeyXRSGCOVEKARPOB-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.97
Rot. Bonds

About N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine

N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine (PubChem CID 87522084) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine.

Molecular Properties

Compound NameN-(3,4-dihydroisoquinolin-1-yl)hydroxylamine
PubChem CID87522084
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC NameN-(3,4-dihydroisoquinolin-1-yl)hydroxylamine
SMILESONC1=NCCc2ccccc21
InChIInChI=1S/C9H10N2O/c12-11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4,12H,5-6H2,(H,10,11)
InChIKeyXRSGCOVEKARPOB-UHFFFAOYSA-N
XLogP0.97
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.97
H-Bond Donors ≤ 52
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 N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine?
The IUPAC name of N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine (CID 87522084) is N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine.
What is the SMILES notation for N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine?
The canonical SMILES for N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine is ONC1=NCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine?
The InChIKey is XRSGCOVEKARPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c12-11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4,12H,5-6H2,(H,10,11).
What are the key properties of N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine?
N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine has a molecular weight of 162.19 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine is sourced from PubChem (CID 87522084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).