4-butyl-1-[(3-methanidyloxyphenyl)methyl]azetidin-2-one;yttrium

C15H20NO2Y- — CID 58751488

IUPAC4-butyl-1-[(3-methanidyloxyphenyl)methyl]azetidin-2-one;yttrium
SMILES[CH2-]Oc1cccc(CN2C(=O)CC2CCCC)c1.[Y]
InChIInChI=1S/C15H20NO2.Y/c1-3-4-7-13-10-15(17)16(13)11-12-6-5-8-14(9-12)18-2;/h5-6,8-9,13H,2-4,7,10-11H2,1H3;/q-1;
InChIKeyOUNYMFODVXPOQD-UHFFFAOYSA-N
MW335.24 g/mol
LogP3.15
Rot. Bonds6

About 4-butyl-1-[(3-methanidyloxyphenyl)methyl]azetidin-2-one;yttrium

4-butyl-1-[(3-methanidyloxyphenyl)methyl]azetidin-2-one;yttrium (PubChem CID 58751488) has the molecular formula C15H20NO2Y- and a molecular weight of 335.24 g/mol. Its IUPAC name is 4-butyl-1-[(3-methanidyloxyphenyl)methyl]azetidin-2-one;yttrium.

Molecular Properties

Compound Name4-butyl-1-[(3-methanidyloxyphenyl)methyl]azetidin-2-one;yttrium
PubChem CID58751488
Molecular FormulaC15H20NO2Y-
Molecular Weight335.24 g/mol
Exact Mass335.06
IUPAC Name4-butyl-1-[(3-methanidyloxyphenyl)methyl]azetidin-2-one;yttrium
SMILES[CH2-]Oc1cccc(CN2C(=O)CC2CCCC)c1.[Y]
InChIInChI=1S/C15H20NO2.Y/c1-3-4-7-13-10-15(17)16(13)11-12-6-5-8-14(9-12)18-2;/h5-6,8-9,13H,2-4,7,10-11H2,1H3;/q-1;
InChIKeyOUNYMFODVXPOQD-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-[(3-methanidyloxyphenyl)methyl]azetidin-2-one;yttrium?
The IUPAC name of 4-butyl-1-[(3-methanidyloxyphenyl)methyl]azetidin-2-one;yttrium (CID 58751488) is 4-butyl-1-[(3-methanidyloxyphenyl)methyl]azetidin-2-one;yttrium.
What is the SMILES notation for 4-butyl-1-[(3-methanidyloxyphenyl)methyl]azetidin-2-one;yttrium?
The canonical SMILES for 4-butyl-1-[(3-methanidyloxyphenyl)methyl]azetidin-2-one;yttrium is [CH2-]Oc1cccc(CN2C(=O)CC2CCCC)c1.[Y].
What is the InChIKey of 4-butyl-1-[(3-methanidyloxyphenyl)methyl]azetidin-2-one;yttrium?
The InChIKey is OUNYMFODVXPOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NO2.Y/c1-3-4-7-13-10-15(17)16(13)11-12-6-5-8-14(9-12)18-2;/h5-6,8-9,13H,2-4,7,10-11H2,1H3;/q-1;.
What are the key properties of 4-butyl-1-[(3-methanidyloxyphenyl)methyl]azetidin-2-one;yttrium?
4-butyl-1-[(3-methanidyloxyphenyl)methyl]azetidin-2-one;yttrium has a molecular weight of 335.24 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-[(3-methanidyloxyphenyl)methyl]azetidin-2-one;yttrium is sourced from PubChem (CID 58751488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).