(NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine

C10H12N2O — CID 119083202

IUPAC(NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine
SMILESO/N=C/c1ccc2c(c1)CCNC2
InChIInChI=1S/C10H12N2O/c13-12-6-8-1-2-10-7-11-4-3-9(10)5-8/h1-2,5-6,11,13H,3-4,7H2/b12-6+
InChIKeyASSPCHZAZDJRLN-WUXMJOGZSA-N
MW176.22 g/mol
LogP1.14
Rot. Bonds1

About (NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine

(NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine (PubChem CID 119083202) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine
PubChem CID119083202
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine
SMILESO/N=C/c1ccc2c(c1)CCNC2
InChIInChI=1S/C10H12N2O/c13-12-6-8-1-2-10-7-11-4-3-9(10)5-8/h1-2,5-6,11,13H,3-4,7H2/b12-6+
InChIKeyASSPCHZAZDJRLN-WUXMJOGZSA-N
XLogP1.14
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.14
H-Bond Donors ≤ 52
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 (NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine (CID 119083202) is (NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine is O/N=C/c1ccc2c(c1)CCNC2.
What is the InChIKey of (NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine?
The InChIKey is ASSPCHZAZDJRLN-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H12N2O/c13-12-6-8-1-2-10-7-11-4-3-9(10)5-8/h1-2,5-6,11,13H,3-4,7H2/b12-6+.
What are the key properties of (NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine?
(NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine has a molecular weight of 176.22 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethylidene)hydroxylamine is sourced from PubChem (CID 119083202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).