1-(4-tert-butyl-2-methanidylpyrrolidin-1-yl)ethanone;yttrium

C11H19NOY-2 — CID 167352148

IUPAC1-(4-tert-butyl-2-methanidylpyrrolidin-1-yl)ethanone;yttrium
SMILES[CH2-]C(=O)N1CC(C(C)(C)C)CC1[CH2-].[Y]
InChIInChI=1S/C11H19NO.Y/c1-8-6-10(11(3,4)5)7-12(8)9(2)13;/h8,10H,1-2,6-7H2,3-5H3;/q-2;
InChIKeyZRDMUKFMYXQSGL-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.92
Rot. Bonds

About 1-(4-tert-butyl-2-methanidylpyrrolidin-1-yl)ethanone;yttrium

1-(4-tert-butyl-2-methanidylpyrrolidin-1-yl)ethanone;yttrium (PubChem CID 167352148) has the molecular formula C11H19NOY-2 and a molecular weight of 270.19 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-methanidylpyrrolidin-1-yl)ethanone;yttrium.

Molecular Properties

Compound Name1-(4-tert-butyl-2-methanidylpyrrolidin-1-yl)ethanone;yttrium
PubChem CID167352148
Molecular FormulaC11H19NOY-2
Molecular Weight270.19 g/mol
Exact Mass270.05
IUPAC Name1-(4-tert-butyl-2-methanidylpyrrolidin-1-yl)ethanone;yttrium
SMILES[CH2-]C(=O)N1CC(C(C)(C)C)CC1[CH2-].[Y]
InChIInChI=1S/C11H19NO.Y/c1-8-6-10(11(3,4)5)7-12(8)9(2)13;/h8,10H,1-2,6-7H2,3-5H3;/q-2;
InChIKeyZRDMUKFMYXQSGL-UHFFFAOYSA-N
XLogP1.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.92
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-methanidylpyrrolidin-1-yl)ethanone;yttrium?
The IUPAC name of 1-(4-tert-butyl-2-methanidylpyrrolidin-1-yl)ethanone;yttrium (CID 167352148) is 1-(4-tert-butyl-2-methanidylpyrrolidin-1-yl)ethanone;yttrium.
What is the SMILES notation for 1-(4-tert-butyl-2-methanidylpyrrolidin-1-yl)ethanone;yttrium?
The canonical SMILES for 1-(4-tert-butyl-2-methanidylpyrrolidin-1-yl)ethanone;yttrium is [CH2-]C(=O)N1CC(C(C)(C)C)CC1[CH2-].[Y].
What is the InChIKey of 1-(4-tert-butyl-2-methanidylpyrrolidin-1-yl)ethanone;yttrium?
The InChIKey is ZRDMUKFMYXQSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.Y/c1-8-6-10(11(3,4)5)7-12(8)9(2)13;/h8,10H,1-2,6-7H2,3-5H3;/q-2;.
What are the key properties of 1-(4-tert-butyl-2-methanidylpyrrolidin-1-yl)ethanone;yttrium?
1-(4-tert-butyl-2-methanidylpyrrolidin-1-yl)ethanone;yttrium has a molecular weight of 270.19 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-methanidylpyrrolidin-1-yl)ethanone;yttrium is sourced from PubChem (CID 167352148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).