4-methyl-3-phenyl-2,3-dihydropyridin-2-ide;yttrium

C12H11NY-2 — CID 59824332

IUPAC4-methyl-3-phenyl-2,3-dihydropyridin-2-ide;yttrium
SMILESCC1=CC=N[CH-]C1c1[c-]cccc1.[Y]
InChIInChI=1S/C12H11N.Y/c1-10-7-8-13-9-12(10)11-5-3-2-4-6-11;/h2-5,7-9,12H,1H3;/q-2;
InChIKeyTXJNIVLEAZIDHA-UHFFFAOYSA-N
MW258.13 g/mol
LogP2.76
Rot. Bonds1

About 4-methyl-3-phenyl-2,3-dihydropyridin-2-ide;yttrium

4-methyl-3-phenyl-2,3-dihydropyridin-2-ide;yttrium (PubChem CID 59824332) has the molecular formula C12H11NY-2 and a molecular weight of 258.13 g/mol. Its IUPAC name is 4-methyl-3-phenyl-2,3-dihydropyridin-2-ide;yttrium.

Molecular Properties

Compound Name4-methyl-3-phenyl-2,3-dihydropyridin-2-ide;yttrium
PubChem CID59824332
Molecular FormulaC12H11NY-2
Molecular Weight258.13 g/mol
Exact Mass258.00
IUPAC Name4-methyl-3-phenyl-2,3-dihydropyridin-2-ide;yttrium
SMILESCC1=CC=N[CH-]C1c1[c-]cccc1.[Y]
InChIInChI=1S/C12H11N.Y/c1-10-7-8-13-9-12(10)11-5-3-2-4-6-11;/h2-5,7-9,12H,1H3;/q-2;
InChIKeyTXJNIVLEAZIDHA-UHFFFAOYSA-N
XLogP2.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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CID 88999139
4-methyl-7,7a-dihydro-1H-isoindole
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3-Propylidene-3a,7a-dihydroindole
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CID 123229927
5-ethyl-4-methyl-3a,7a-dihydro-3H-indole
CID 123975726
1,7-Dimethyl-1,8a-dihydroisoquinoline
CID 130184066
1-Methyl-1,8a-dihydroisoquinoline
CID 144968891
carbanide;3-(3-methylbenzene-2-id-1-yl)-2H-pyridin-2-ide;yttrium(3+)
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-2,3-dihydropyridin-2-ide;yttrium?
The IUPAC name of 4-methyl-3-phenyl-2,3-dihydropyridin-2-ide;yttrium (CID 59824332) is 4-methyl-3-phenyl-2,3-dihydropyridin-2-ide;yttrium.
What is the SMILES notation for 4-methyl-3-phenyl-2,3-dihydropyridin-2-ide;yttrium?
The canonical SMILES for 4-methyl-3-phenyl-2,3-dihydropyridin-2-ide;yttrium is CC1=CC=N[CH-]C1c1[c-]cccc1.[Y].
What is the InChIKey of 4-methyl-3-phenyl-2,3-dihydropyridin-2-ide;yttrium?
The InChIKey is TXJNIVLEAZIDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.Y/c1-10-7-8-13-9-12(10)11-5-3-2-4-6-11;/h2-5,7-9,12H,1H3;/q-2;.
What are the key properties of 4-methyl-3-phenyl-2,3-dihydropyridin-2-ide;yttrium?
4-methyl-3-phenyl-2,3-dihydropyridin-2-ide;yttrium has a molecular weight of 258.13 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-2,3-dihydropyridin-2-ide;yttrium is sourced from PubChem (CID 59824332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).