methyl 3-amino-2-methylbenzene-5-ide-1-carboxylate;yttrium

C9H10NO2Y- — CID 59696394

IUPACmethyl 3-amino-2-methylbenzene-5-ide-1-carboxylate;yttrium
SMILESCOC(=O)c1c[c-]cc(N)c1C.[Y]
InChIInChI=1S/C9H10NO2.Y/c1-6-7(9(11)12-2)4-3-5-8(6)10;/h4-5H,10H2,1-2H3;/q-1;
InChIKeyDROKHFXWZLRLJK-UHFFFAOYSA-N
MW253.09 g/mol
LogP1.16
Rot. Bonds1

About methyl 3-amino-2-methylbenzene-5-ide-1-carboxylate;yttrium

methyl 3-amino-2-methylbenzene-5-ide-1-carboxylate;yttrium (PubChem CID 59696394) has the molecular formula C9H10NO2Y- and a molecular weight of 253.09 g/mol. Its IUPAC name is methyl 3-amino-2-methylbenzene-5-ide-1-carboxylate;yttrium.

Molecular Properties

Compound Namemethyl 3-amino-2-methylbenzene-5-ide-1-carboxylate;yttrium
PubChem CID59696394
Molecular FormulaC9H10NO2Y-
Molecular Weight253.09 g/mol
Exact Mass252.98
IUPAC Namemethyl 3-amino-2-methylbenzene-5-ide-1-carboxylate;yttrium
SMILESCOC(=O)c1c[c-]cc(N)c1C.[Y]
InChIInChI=1S/C9H10NO2.Y/c1-6-7(9(11)12-2)4-3-5-8(6)10;/h4-5H,10H2,1-2H3;/q-1;
InChIKeyDROKHFXWZLRLJK-UHFFFAOYSA-N
XLogP1.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-hydroxy-6-methylisonicotinate
CID 14117784
methyl (2E)-2-(1-aminoethenyl)-4-fluoropenta-2,4-dienoate
CID 155266798
Methyl 4-amino-5-oxocyclohepta-1,3,6-triene-1-carboxylate
CID 71445290
1,4-Cyclopentadiene-1-carboxylic acid, 3-(1-aminoethylidene)-, methyl ester
CID 5367342
methyl (2E)-2-(5-aminocyclohexa-2,4-dien-1-ylidene)acetate
CID 22060409
Methyl 3-(dimethylamino)benzene-5-ide-1-carboxylate;yttrium
CID 58336211
Methyl 3-[(3-methylbenzene-4-id-1-yl)diazenyl]benzene-6-ide-1-carboxylate;tetrakis(yttrium)
CID 59400351
Methyl 5-aminocyclopenta-1,4-diene-1-carboxylate
CID 59648596
Methyl 2-(3-aminocyclohexa-2,4-dien-1-ylidene)acetate
CID 66758733
3-(Methoxycarbonylmethylene)aniline
CID 66758734
Methyl 5-aminocyclohepta-1,3,4,6-tetraene-1-carboxylate
CID 88226636
methyl (3Z)-4-amino-2-methylidenehexa-3,5-dienoate
CID 88561213

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-methylbenzene-5-ide-1-carboxylate;yttrium?
The IUPAC name of methyl 3-amino-2-methylbenzene-5-ide-1-carboxylate;yttrium (CID 59696394) is methyl 3-amino-2-methylbenzene-5-ide-1-carboxylate;yttrium.
What is the SMILES notation for methyl 3-amino-2-methylbenzene-5-ide-1-carboxylate;yttrium?
The canonical SMILES for methyl 3-amino-2-methylbenzene-5-ide-1-carboxylate;yttrium is COC(=O)c1c[c-]cc(N)c1C.[Y].
What is the InChIKey of methyl 3-amino-2-methylbenzene-5-ide-1-carboxylate;yttrium?
The InChIKey is DROKHFXWZLRLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO2.Y/c1-6-7(9(11)12-2)4-3-5-8(6)10;/h4-5H,10H2,1-2H3;/q-1;.
What are the key properties of methyl 3-amino-2-methylbenzene-5-ide-1-carboxylate;yttrium?
methyl 3-amino-2-methylbenzene-5-ide-1-carboxylate;yttrium has a molecular weight of 253.09 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-methylbenzene-5-ide-1-carboxylate;yttrium is sourced from PubChem (CID 59696394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).