methyl 3-(dimethylamino)benzene-5-ide-1-carboxylate;yttrium

C10H12NO2Y- — CID 58336211

IUPACmethyl 3-(dimethylamino)benzene-5-ide-1-carboxylate;yttrium
SMILESCOC(=O)c1c[c-]cc(N(C)C)c1.[Y]
InChIInChI=1S/C10H12NO2.Y/c1-11(2)9-6-4-5-8(7-9)10(12)13-3;/h5-7H,1-3H3;/q-1;
InChIKeyAYDNWURYUNLNJJ-UHFFFAOYSA-N
MW267.12 g/mol
LogP1.34
Rot. Bonds2

About methyl 3-(dimethylamino)benzene-5-ide-1-carboxylate;yttrium

methyl 3-(dimethylamino)benzene-5-ide-1-carboxylate;yttrium (PubChem CID 58336211) has the molecular formula C10H12NO2Y- and a molecular weight of 267.12 g/mol. Its IUPAC name is methyl 3-(dimethylamino)benzene-5-ide-1-carboxylate;yttrium.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)benzene-5-ide-1-carboxylate;yttrium
PubChem CID58336211
Molecular FormulaC10H12NO2Y-
Molecular Weight267.12 g/mol
Exact Mass266.99
IUPAC Namemethyl 3-(dimethylamino)benzene-5-ide-1-carboxylate;yttrium
SMILESCOC(=O)c1c[c-]cc(N(C)C)c1.[Y]
InChIInChI=1S/C10H12NO2.Y/c1-11(2)9-6-4-5-8(7-9)10(12)13-3;/h5-7H,1-3H3;/q-1;
InChIKeyAYDNWURYUNLNJJ-UHFFFAOYSA-N
XLogP1.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (Z)-2-[(E)-2-(dimethylamino)prop-1-enyl]but-2-enedioate
CID 164677725
Methyl 1,2-dihydro-1-methyl-4-pyridinecarboxylate
CID 45090140
Methyl 6-cyano-1,2-dihydro-1-methyl-2-oxo-4-pyridinecarboxylate
CID 10726395
methyl 2-(2-methylprop-1-enyl)-1-propyl-2H-pyridine-4-carboxylate
CID 135040865
diethyl (Z)-2-[(E)-2-(dimethylamino)prop-1-enyl]but-2-enedioate
CID 164678904
1,4-Cyclopentadiene-1-carboxylic acid, 3-[1-(dimethylamino)ethylidene]-, methyl ester
CID 5375316
Methyl 1,6-dimethyl-2-oxo-1,2-dihydropyridine-4-carboxylate
CID 59006708
Dimethylazanide;methyl benzoate;yttrium
CID 59047039
Methyl 3-amino-2-methylbenzene-5-ide-1-carboxylate;yttrium
CID 59696394
Methyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate
CID 68929213
methyl 4H-quinolizine-2-carboxylate
CID 87368522
ethyl 4H-quinolizine-2-carboxylate
CID 88666225

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)benzene-5-ide-1-carboxylate;yttrium?
The IUPAC name of methyl 3-(dimethylamino)benzene-5-ide-1-carboxylate;yttrium (CID 58336211) is methyl 3-(dimethylamino)benzene-5-ide-1-carboxylate;yttrium.
What is the SMILES notation for methyl 3-(dimethylamino)benzene-5-ide-1-carboxylate;yttrium?
The canonical SMILES for methyl 3-(dimethylamino)benzene-5-ide-1-carboxylate;yttrium is COC(=O)c1c[c-]cc(N(C)C)c1.[Y].
What is the InChIKey of methyl 3-(dimethylamino)benzene-5-ide-1-carboxylate;yttrium?
The InChIKey is AYDNWURYUNLNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO2.Y/c1-11(2)9-6-4-5-8(7-9)10(12)13-3;/h5-7H,1-3H3;/q-1;.
What are the key properties of methyl 3-(dimethylamino)benzene-5-ide-1-carboxylate;yttrium?
methyl 3-(dimethylamino)benzene-5-ide-1-carboxylate;yttrium has a molecular weight of 267.12 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)benzene-5-ide-1-carboxylate;yttrium is sourced from PubChem (CID 58336211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).