(NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride

C11H13ClN2O — CID 135478442

IUPAC(NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride
SMILESC/C(=N/O)C1=NCCc2ccccc21.Cl
InChIInChI=1S/C11H12N2O.ClH/c1-8(13-14)11-10-5-3-2-4-9(10)6-7-12-11;/h2-5,14H,6-7H2,1H3;1H/b13-8-;
InChIKeyXMKKBAXUBCKFTH-MGAWDJABSA-N
MW224.69 g/mol
LogP2.30
Rot. Bonds1

About (NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride

(NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride (PubChem CID 135478442) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound Name(NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride
PubChem CID135478442
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride
SMILESC/C(=N/O)C1=NCCc2ccccc21.Cl
InChIInChI=1S/C11H12N2O.ClH/c1-8(13-14)11-10-5-3-2-4-9(10)6-7-12-11;/h2-5,14H,6-7H2,1H3;1H/b13-8-;
InChIKeyXMKKBAXUBCKFTH-MGAWDJABSA-N
XLogP2.30
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.30
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'}

Analyze (NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride with MolForge

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Related Compounds

1-prop-1-en-2-yl-3,4-dihydroisoquinoline
CID 175704614
bis(3,4-dihydroisoquinolin-1-yl)methanone
CID 174753154
1-(3,4-dihydroisoquinolin-1-yl)-2,2-dimethylpropan-1-one
CID 11241375
3,4-dihydroisoquinolin-1-yl(phenyl)methanethione
CID 71373487
N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine
CID 87522084
1-methyl-3,4-dihydroisoquinoline tetrafluoroborate
CID 174929053
N,N-dimethyl-3,4-dihydroisoquinolin-1-amine
CID 10130189
2-(3,4-dihydroisoquinolin-1-yl)propan-2-ol
CID 141220935
2-(3,4-dihydroisoquinolin-1-yl)acetic acid
CID 4737805
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59340364
ethane;3-(3-methylbut-2-en-2-yl)-1H-isoindole
CID 158932732
9,10-dihydrophenanthrene;ethane
CID 143759681

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride?
The IUPAC name of (NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride (CID 135478442) is (NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for (NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride?
The canonical SMILES for (NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride is C/C(=N/O)C1=NCCc2ccccc21.Cl.
What is the InChIKey of (NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride?
The InChIKey is XMKKBAXUBCKFTH-MGAWDJABSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c1-8(13-14)11-10-5-3-2-4-9(10)6-7-12-11;/h2-5,14H,6-7H2,1H3;1H/b13-8-;.
What are the key properties of (NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride?
(NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(3,4-dihydroisoquinolin-1-yl)ethylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 135478442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).