ethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium

C13H17NOY-2 — CID 59326622

IUPACethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium
SMILES[CH2-]C.[CH2-]C1C(=O)N(c2ccccc2)C1C.[Y]
InChIInChI=1S/C11H12NO.C2H5.Y/c1-8-9(2)12(11(8)13)10-6-4-3-5-7-10;1-2;/h3-9H,1H2,2H3;1H2,2H3;/q2*-1;
InChIKeyYZCDWNQLFPFMQW-UHFFFAOYSA-N
MW292.19 g/mol
LogP2.71
Rot. Bonds1

About ethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium

ethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium (PubChem CID 59326622) has the molecular formula C13H17NOY-2 and a molecular weight of 292.19 g/mol. Its IUPAC name is ethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium.

Molecular Properties

Compound Nameethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium
PubChem CID59326622
Molecular FormulaC13H17NOY-2
Molecular Weight292.19 g/mol
Exact Mass292.04
IUPAC Nameethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium
SMILES[CH2-]C.[CH2-]C1C(=O)N(c2ccccc2)C1C.[Y]
InChIInChI=1S/C11H12NO.C2H5.Y/c1-8-9(2)12(11(8)13)10-6-4-3-5-7-10;1-2;/h3-9H,1H2,2H3;1H2,2H3;/q2*-1;
InChIKeyYZCDWNQLFPFMQW-UHFFFAOYSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 52.71
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

3-amino-4,5-dimethyl-1-phenylpyrrolidin-2-one
CID 70547159
2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane
CID 91590341
(2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 124510271
4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one
CID 67692307
3-methyl-4-phenyl-3H-1,2,4-triazol-5-one
CID 86255642
2,4,5-trimethyl-1,3-diphenyl-2H-imidazole
CID 126693775
(3R)-3-methyl-1-phenyl-3H-indol-2-one
CID 6951281
3-methyl-2-phenyl-3H-isoindol-1-one
CID 77321991
5-methyl-3,4-dimethylidene-1-phenylpyrrolidin-2-one
CID 88552962
2-methyl-1,4-diphenyl-2H-pyrrol-5-one
CID 174901051
(3R,4S)-3-chloro-4-methyl-1-phenylpyrrolidin-2-one
CID 14417049
5-methyl-1-phenyl-3-triethylsilylimidazolidine-2,4-dione
CID 140848595

Frequently Asked Questions

What is the IUPAC name of ethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium?
The IUPAC name of ethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium (CID 59326622) is ethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium.
What is the SMILES notation for ethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium?
The canonical SMILES for ethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium is [CH2-]C.[CH2-]C1C(=O)N(c2ccccc2)C1C.[Y].
What is the InChIKey of ethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium?
The InChIKey is YZCDWNQLFPFMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO.C2H5.Y/c1-8-9(2)12(11(8)13)10-6-4-3-5-7-10;1-2;/h3-9H,1H2,2H3;1H2,2H3;/q2*-1;.
What are the key properties of ethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium?
ethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium has a molecular weight of 292.19 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium is sourced from PubChem (CID 59326622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).