[[chloromethyl(methyl)amino]-phenylmethylidene]azanide;yttrium

C9H9ClN2Y-2 — CID 59878775

IUPAC[[chloromethyl(methyl)amino]-phenylmethylidene]azanide;yttrium
SMILESCN(CCl)C(=[N-])c1[c-]cccc1.[Y]
InChIInChI=1S/C9H9ClN2.Y/c1-12(7-10)9(11)8-5-3-2-4-6-8;/h2-5H,7H2,1H3;/q-2;
InChIKeyKPUFMWOQSZJNMH-UHFFFAOYSA-N
MW269.54 g/mol
LogP1.93
Rot. Bonds2

About [[chloromethyl(methyl)amino]-phenylmethylidene]azanide;yttrium

[[chloromethyl(methyl)amino]-phenylmethylidene]azanide;yttrium (PubChem CID 59878775) has the molecular formula C9H9ClN2Y-2 and a molecular weight of 269.54 g/mol. Its IUPAC name is [[chloromethyl(methyl)amino]-phenylmethylidene]azanide;yttrium.

Molecular Properties

Compound Name[[chloromethyl(methyl)amino]-phenylmethylidene]azanide;yttrium
PubChem CID59878775
Molecular FormulaC9H9ClN2Y-2
Molecular Weight269.54 g/mol
Exact Mass268.95
IUPAC Name[[chloromethyl(methyl)amino]-phenylmethylidene]azanide;yttrium
SMILESCN(CCl)C(=[N-])c1[c-]cccc1.[Y]
InChIInChI=1S/C9H9ClN2.Y/c1-12(7-10)9(11)8-5-3-2-4-6-8;/h2-5H,7H2,1H3;/q-2;
InChIKeyKPUFMWOQSZJNMH-UHFFFAOYSA-N
XLogP1.93
TPSA25.54 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.54
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[chloromethyl(methyl)amino]-phenylmethylidene]azanide;yttrium?
The IUPAC name of [[chloromethyl(methyl)amino]-phenylmethylidene]azanide;yttrium (CID 59878775) is [[chloromethyl(methyl)amino]-phenylmethylidene]azanide;yttrium.
What is the SMILES notation for [[chloromethyl(methyl)amino]-phenylmethylidene]azanide;yttrium?
The canonical SMILES for [[chloromethyl(methyl)amino]-phenylmethylidene]azanide;yttrium is CN(CCl)C(=[N-])c1[c-]cccc1.[Y].
What is the InChIKey of [[chloromethyl(methyl)amino]-phenylmethylidene]azanide;yttrium?
The InChIKey is KPUFMWOQSZJNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2.Y/c1-12(7-10)9(11)8-5-3-2-4-6-8;/h2-5H,7H2,1H3;/q-2;.
What are the key properties of [[chloromethyl(methyl)amino]-phenylmethylidene]azanide;yttrium?
[[chloromethyl(methyl)amino]-phenylmethylidene]azanide;yttrium has a molecular weight of 269.54 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[chloromethyl(methyl)amino]-phenylmethylidene]azanide;yttrium is sourced from PubChem (CID 59878775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).