3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium

C11H12NO2Y- — CID 164530225

IUPAC3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium
SMILESCc1[c-]cccc1CN1CCOC1=O.[Y]
InChIInChI=1S/C11H12NO2.Y/c1-9-4-2-3-5-10(9)8-12-6-7-14-11(12)13;/h2-3,5H,6-8H2,1H3;/q-1;
InChIKeyAMNKSOCRPYIJGM-UHFFFAOYSA-N
MW279.13 g/mol
LogP1.74
Rot. Bonds2

About 3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium

3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium (PubChem CID 164530225) has the molecular formula C11H12NO2Y- and a molecular weight of 279.13 g/mol. Its IUPAC name is 3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium.

Molecular Properties

Compound Name3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium
PubChem CID164530225
Molecular FormulaC11H12NO2Y-
Molecular Weight279.13 g/mol
Exact Mass278.99
IUPAC Name3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium
SMILESCc1[c-]cccc1CN1CCOC1=O.[Y]
InChIInChI=1S/C11H12NO2.Y/c1-9-4-2-3-5-10(9)8-12-6-7-14-11(12)13;/h2-3,5H,6-8H2,1H3;/q-1;
InChIKeyAMNKSOCRPYIJGM-UHFFFAOYSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid
CID 81318059
3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one
CID 62465616
2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride
CID 22151120
3-[(3-amino-2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 107347624
3-methyl-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzonitrile
CID 114481344
3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one
CID 134018841
3-[[2-(methylamino)quinolin-3-yl]methyl]-1,3-oxazolidin-2-one
CID 55044537
3-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 72891391
3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 70770021
3-[(1-methyl-2-oxo-4-pyridinyl)methyl]-1,3-oxazolidin-2-one
CID 142988742
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one
CID 60796486
N-[(2-methylphenyl)methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686856

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium?
The IUPAC name of 3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium (CID 164530225) is 3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium.
What is the SMILES notation for 3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium?
The canonical SMILES for 3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium is Cc1[c-]cccc1CN1CCOC1=O.[Y].
What is the InChIKey of 3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium?
The InChIKey is AMNKSOCRPYIJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO2.Y/c1-9-4-2-3-5-10(9)8-12-6-7-14-11(12)13;/h2-3,5H,6-8H2,1H3;/q-1;.
What are the key properties of 3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium?
3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium has a molecular weight of 279.13 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium is sourced from PubChem (CID 164530225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).