1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium

C17H30N2O2Y-2 — CID 147380482

IUPAC1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium
SMILESCC(C)(C)C(C)(C)CC1CC(=O)[N-]C1=O.[CH2-]CN1CCC1.[Y]
InChIInChI=1S/C12H21NO2.C5H10N.Y/c1-11(2,3)12(4,5)7-8-6-9(14)13-10(8)15;1-2-6-4-3-5-6;/h8H,6-7H2,1-5H3,(H,13,14,15);1-5H2;/q;-1;/p-1
InChIKeyRXLNFPYDZPMPKD-UHFFFAOYSA-M
MW383.35 g/mol
LogP3.42
Rot. Bonds3

About 1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium

1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium (PubChem CID 147380482) has the molecular formula C17H30N2O2Y-2 and a molecular weight of 383.35 g/mol. Its IUPAC name is 1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium.

Molecular Properties

Compound Name1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium
PubChem CID147380482
Molecular FormulaC17H30N2O2Y-2
Molecular Weight383.35 g/mol
Exact Mass383.14
IUPAC Name1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium
SMILESCC(C)(C)C(C)(C)CC1CC(=O)[N-]C1=O.[CH2-]CN1CCC1.[Y]
InChIInChI=1S/C12H21NO2.C5H10N.Y/c1-11(2,3)12(4,5)7-8-6-9(14)13-10(8)15;1-2-6-4-3-5-6;/h8H,6-7H2,1-5H3,(H,13,14,15);1-5H2;/q;-1;/p-1
InChIKeyRXLNFPYDZPMPKD-UHFFFAOYSA-M
XLogP3.42
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione
CID 90129516
carbanide;(4-ethyl-1,4-diazepan-1-yl)methanone;tungsten;vanadium;yttrium
CID 91866373
1-[5-(diethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione
CID 90129512
2-[(4-tert-butylpiperazin-1-yl)methyl]cyclopentan-1-one
CID 62613226
4-(3,3-dimethyl-2-oxobutyl)-1-methyl-1,4-diazepan-2-one
CID 102889641
4-O-benzyl 1-O-tert-butyl (2S)-2-methyl-1,4-diazepane-1,4-dicarboxylate
CID 102341805
ethane;3-methyl-3-(4-methylphenyl)-1-pyrrolidin-1-ylbutan-2-one
CID 142833151
1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione
CID 170254853
tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate
CID 171538458
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 95635367
tert-butyl (3R)-4-benzyl-3-methyl-1,4-diazepane-1-carboxylate
CID 70304372

Frequently Asked Questions

What is the IUPAC name of 1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium?
The IUPAC name of 1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium (CID 147380482) is 1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium.
What is the SMILES notation for 1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium?
The canonical SMILES for 1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium is CC(C)(C)C(C)(C)CC1CC(=O)[N-]C1=O.[CH2-]CN1CCC1.[Y].
What is the InChIKey of 1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium?
The InChIKey is RXLNFPYDZPMPKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H21NO2.C5H10N.Y/c1-11(2,3)12(4,5)7-8-6-9(14)13-10(8)15;1-2-6-4-3-5-6;/h8H,6-7H2,1-5H3,(H,13,14,15);1-5H2;/q;-1;/p-1.
What are the key properties of 1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium?
1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium has a molecular weight of 383.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylazetidine;3-(2,2,3,3-tetramethylbutyl)pyrrolidin-1-ide-2,5-dione;yttrium is sourced from PubChem (CID 147380482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).