(4R)-4-[4-[cyclopentyl(hydroxy)methyl]phenyl]-1-hex-2-enylazetidin-2-one;yttrium

C21H28NO2Y- — CID 162301301

IUPAC(4R)-4-[4-[cyclopentyl(hydroxy)methyl]phenyl]-1-hex-2-enylazetidin-2-one;yttrium
SMILES[CH2-]CCC=CCN1C(=O)C[C@@H]1c1ccc(C(O)C2CCCC2)cc1.[Y]
InChIInChI=1S/C21H28NO2.Y/c1-2-3-4-7-14-22-19(15-20(22)23)16-10-12-18(13-11-16)21(24)17-8-5-6-9-17;/h4,7,10-13,17,19,21,24H,1-3,5-6,8-9,14-15H2;/q-1;/t19-,21?;/m1./s1
InChIKeyBUGLWAMGZSCALE-YYNYCHCGSA-N
MW415.37 g/mol
LogP4.35
Rot. Bonds7

About (4R)-4-[4-[cyclopentyl(hydroxy)methyl]phenyl]-1-hex-2-enylazetidin-2-one;yttrium

(4R)-4-[4-[cyclopentyl(hydroxy)methyl]phenyl]-1-hex-2-enylazetidin-2-one;yttrium (PubChem CID 162301301) has the molecular formula C21H28NO2Y- and a molecular weight of 415.37 g/mol. Its IUPAC name is (4R)-4-[4-[cyclopentyl(hydroxy)methyl]phenyl]-1-hex-2-enylazetidin-2-one;yttrium.

Molecular Properties

Compound Name(4R)-4-[4-[cyclopentyl(hydroxy)methyl]phenyl]-1-hex-2-enylazetidin-2-one;yttrium
PubChem CID162301301
Molecular FormulaC21H28NO2Y-
Molecular Weight415.37 g/mol
Exact Mass415.12
IUPAC Name(4R)-4-[4-[cyclopentyl(hydroxy)methyl]phenyl]-1-hex-2-enylazetidin-2-one;yttrium
SMILES[CH2-]CCC=CCN1C(=O)C[C@@H]1c1ccc(C(O)C2CCCC2)cc1.[Y]
InChIInChI=1S/C21H28NO2.Y/c1-2-3-4-7-14-22-19(15-20(22)23)16-10-12-18(13-11-16)21(24)17-8-5-6-9-17;/h4,7,10-13,17,19,21,24H,1-3,5-6,8-9,14-15H2;/q-1;/t19-,21?;/m1./s1
InChIKeyBUGLWAMGZSCALE-YYNYCHCGSA-N
XLogP4.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[cyclopentyl(hydroxy)methyl]phenyl]-1-hex-2-enylazetidin-2-one;yttrium?
The IUPAC name of (4R)-4-[4-[cyclopentyl(hydroxy)methyl]phenyl]-1-hex-2-enylazetidin-2-one;yttrium (CID 162301301) is (4R)-4-[4-[cyclopentyl(hydroxy)methyl]phenyl]-1-hex-2-enylazetidin-2-one;yttrium.
What is the SMILES notation for (4R)-4-[4-[cyclopentyl(hydroxy)methyl]phenyl]-1-hex-2-enylazetidin-2-one;yttrium?
The canonical SMILES for (4R)-4-[4-[cyclopentyl(hydroxy)methyl]phenyl]-1-hex-2-enylazetidin-2-one;yttrium is [CH2-]CCC=CCN1C(=O)C[C@@H]1c1ccc(C(O)C2CCCC2)cc1.[Y].
What is the InChIKey of (4R)-4-[4-[cyclopentyl(hydroxy)methyl]phenyl]-1-hex-2-enylazetidin-2-one;yttrium?
The InChIKey is BUGLWAMGZSCALE-YYNYCHCGSA-N. The full InChI is InChI=1S/C21H28NO2.Y/c1-2-3-4-7-14-22-19(15-20(22)23)16-10-12-18(13-11-16)21(24)17-8-5-6-9-17;/h4,7,10-13,17,19,21,24H,1-3,5-6,8-9,14-15H2;/q-1;/t19-,21?;/m1./s1.
What are the key properties of (4R)-4-[4-[cyclopentyl(hydroxy)methyl]phenyl]-1-hex-2-enylazetidin-2-one;yttrium?
(4R)-4-[4-[cyclopentyl(hydroxy)methyl]phenyl]-1-hex-2-enylazetidin-2-one;yttrium has a molecular weight of 415.37 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-[cyclopentyl(hydroxy)methyl]phenyl]-1-hex-2-enylazetidin-2-one;yttrium is sourced from PubChem (CID 162301301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).