(4R)-1-hexyl-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidin-2-one;yttrium

C18H24NO2Y- — CID 59207919

IUPAC(4R)-1-hexyl-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidin-2-one;yttrium
SMILES[CH2-]CCCCCN1C(=O)C[C@@H]1c1ccc2c(c1)CCC2O.[Y]
InChIInChI=1S/C18H24NO2.Y/c1-2-3-4-5-10-19-16(12-18(19)21)14-6-8-15-13(11-14)7-9-17(15)20;/h6,8,11,16-17,20H,1-5,7,9-10,12H2;/q-1;/t16-,17?;/m1./s1
InChIKeyINEIHTFNHBKBCX-RBMDBAKPSA-N
MW375.30 g/mol
LogP3.33
Rot. Bonds6

About (4R)-1-hexyl-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidin-2-one;yttrium

(4R)-1-hexyl-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidin-2-one;yttrium (PubChem CID 59207919) has the molecular formula C18H24NO2Y- and a molecular weight of 375.30 g/mol. Its IUPAC name is (4R)-1-hexyl-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidin-2-one;yttrium.

Molecular Properties

Compound Name(4R)-1-hexyl-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidin-2-one;yttrium
PubChem CID59207919
Molecular FormulaC18H24NO2Y-
Molecular Weight375.30 g/mol
Exact Mass375.09
IUPAC Name(4R)-1-hexyl-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidin-2-one;yttrium
SMILES[CH2-]CCCCCN1C(=O)C[C@@H]1c1ccc2c(c1)CCC2O.[Y]
InChIInChI=1S/C18H24NO2.Y/c1-2-3-4-5-10-19-16(12-18(19)21)14-6-8-15-13(11-14)7-9-17(15)20;/h6,8,11,16-17,20H,1-5,7,9-10,12H2;/q-1;/t16-,17?;/m1./s1
InChIKeyINEIHTFNHBKBCX-RBMDBAKPSA-N
XLogP3.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-7-[(2R)-2-[4-(1-hydroxy-2,2-dimethylpropyl)phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid
CID 11954394
7-[(2R)-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-4-oxoazetidin-1-yl]heptanoic acid
CID 11963068
(Z)-7-[(2R)-2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-4-oxoazetidin-1-yl]hept-5-enoic acid
CID 11963071
(4R)-1-hexyl-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidine-2-thione;yttrium
CID 57784591
(4R)-4-[4-(1-hydroxyhexyl)phenyl]-1-[3-(2H-thiophen-2-id-5-yl)propyl]azetidin-2-one;yttrium
CID 57784593
(4R)-1-[(Z)-hex-2-enyl]-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidin-2-one;yttrium
CID 57784597
(4R)-1-[(Z)-hex-2-enyl]-4-[4-(1-hydroxy-2,2-dimethylpropyl)phenyl]azetidin-2-one;yttrium
CID 57784601
(4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-[(Z)-hex-2-enyl]azetidin-2-one;yttrium
CID 57784606
(4R)-1-[(Z)-hex-2-enyl]-4-[4-(1-hydroxycyclobutyl)phenyl]azetidin-2-one;yttrium
CID 57784609
(4R)-1-hexyl-4-[4-(1-hydroxycyclobutyl)phenyl]azetidin-2-one;yttrium
CID 57784613
(4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-[(Z)-hept-2-enyl]azetidin-2-one
CID 57784615
(4R)-4-[4-[cyclohexyl(hydroxy)methyl]phenyl]-1-hexylazetidin-2-one;yttrium
CID 59207911

Frequently Asked Questions

What is the IUPAC name of (4R)-1-hexyl-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidin-2-one;yttrium?
The IUPAC name of (4R)-1-hexyl-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidin-2-one;yttrium (CID 59207919) is (4R)-1-hexyl-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidin-2-one;yttrium.
What is the SMILES notation for (4R)-1-hexyl-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidin-2-one;yttrium?
The canonical SMILES for (4R)-1-hexyl-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidin-2-one;yttrium is [CH2-]CCCCCN1C(=O)C[C@@H]1c1ccc2c(c1)CCC2O.[Y].
What is the InChIKey of (4R)-1-hexyl-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidin-2-one;yttrium?
The InChIKey is INEIHTFNHBKBCX-RBMDBAKPSA-N. The full InChI is InChI=1S/C18H24NO2.Y/c1-2-3-4-5-10-19-16(12-18(19)21)14-6-8-15-13(11-14)7-9-17(15)20;/h6,8,11,16-17,20H,1-5,7,9-10,12H2;/q-1;/t16-,17?;/m1./s1.
What are the key properties of (4R)-1-hexyl-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidin-2-one;yttrium?
(4R)-1-hexyl-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidin-2-one;yttrium has a molecular weight of 375.30 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-hexyl-4-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)azetidin-2-one;yttrium is sourced from PubChem (CID 59207919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).