3-amino-4-(4-methylbenzene-5-id-1-yl)butan-2-one;yttrium

C11H14NOY- — CID 59260961

IUPAC3-amino-4-(4-methylbenzene-5-id-1-yl)butan-2-one;yttrium
SMILESCC(=O)C(N)Cc1c[c-]c(C)cc1.[Y]
InChIInChI=1S/C11H14NO.Y/c1-8-3-5-10(6-4-8)7-11(12)9(2)13;/h3,5-6,11H,7,12H2,1-2H3;/q-1;
InChIKeyZTLJLUKMZPLOJI-UHFFFAOYSA-N
MW265.15 g/mol
LogP1.25
Rot. Bonds3

About 3-amino-4-(4-methylbenzene-5-id-1-yl)butan-2-one;yttrium

3-amino-4-(4-methylbenzene-5-id-1-yl)butan-2-one;yttrium (PubChem CID 59260961) has the molecular formula C11H14NOY- and a molecular weight of 265.15 g/mol. Its IUPAC name is 3-amino-4-(4-methylbenzene-5-id-1-yl)butan-2-one;yttrium.

Molecular Properties

Compound Name3-amino-4-(4-methylbenzene-5-id-1-yl)butan-2-one;yttrium
PubChem CID59260961
Molecular FormulaC11H14NOY-
Molecular Weight265.15 g/mol
Exact Mass265.01
IUPAC Name3-amino-4-(4-methylbenzene-5-id-1-yl)butan-2-one;yttrium
SMILESCC(=O)C(N)Cc1c[c-]c(C)cc1.[Y]
InChIInChI=1S/C11H14NO.Y/c1-8-3-5-10(6-4-8)7-11(12)9(2)13;/h3,5-6,11H,7,12H2,1-2H3;/q-1;
InChIKeyZTLJLUKMZPLOJI-UHFFFAOYSA-N
XLogP1.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(4-hydroxysulfanylphenyl)butan-2-one
CID 177242205
(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane
CID 143606958
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
[4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium
CID 157140877
(3R)-3-amino-4-(4-isocyanophenyl)butan-2-one
CID 59654119
(3S)-3-amino-4-[4-(1,1-difluoroethyl)phenyl]butan-2-one
CID 163727286
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
3-amino-4-(4-phenylphenyl)butan-2-one;ethane
CID 176709550
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one
CID 59660716
sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide
CID 160538956
3-amino-4-(4-chloro-2-methylphenyl)butan-2-one
CID 83639669

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-methylbenzene-5-id-1-yl)butan-2-one;yttrium?
The IUPAC name of 3-amino-4-(4-methylbenzene-5-id-1-yl)butan-2-one;yttrium (CID 59260961) is 3-amino-4-(4-methylbenzene-5-id-1-yl)butan-2-one;yttrium.
What is the SMILES notation for 3-amino-4-(4-methylbenzene-5-id-1-yl)butan-2-one;yttrium?
The canonical SMILES for 3-amino-4-(4-methylbenzene-5-id-1-yl)butan-2-one;yttrium is CC(=O)C(N)Cc1c[c-]c(C)cc1.[Y].
What is the InChIKey of 3-amino-4-(4-methylbenzene-5-id-1-yl)butan-2-one;yttrium?
The InChIKey is ZTLJLUKMZPLOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO.Y/c1-8-3-5-10(6-4-8)7-11(12)9(2)13;/h3,5-6,11H,7,12H2,1-2H3;/q-1;.
What are the key properties of 3-amino-4-(4-methylbenzene-5-id-1-yl)butan-2-one;yttrium?
3-amino-4-(4-methylbenzene-5-id-1-yl)butan-2-one;yttrium has a molecular weight of 265.15 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-methylbenzene-5-id-1-yl)butan-2-one;yttrium is sourced from PubChem (CID 59260961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).