1-(3-methylbutan-2-yl)pyrrolidin-5-ide;yttrium

C9H17NY-2 — CID 164767535

IUPAC1-(3-methylbutan-2-yl)pyrrolidin-5-ide;yttrium
SMILES[CH2-]C(C(C)C)N1[CH-]CCC1.[Y]
InChIInChI=1S/C9H17N.Y/c1-8(2)9(3)10-6-4-5-7-10;/h6,8-9H,3-5,7H2,1-2H3;/q-2;
InChIKeyPVXOTCGKDIZWOA-UHFFFAOYSA-N
MW228.15 g/mol
LogP2.10
Rot. Bonds2

About 1-(3-methylbutan-2-yl)pyrrolidin-5-ide;yttrium

1-(3-methylbutan-2-yl)pyrrolidin-5-ide;yttrium (PubChem CID 164767535) has the molecular formula C9H17NY-2 and a molecular weight of 228.15 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)pyrrolidin-5-ide;yttrium.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)pyrrolidin-5-ide;yttrium
PubChem CID164767535
Molecular FormulaC9H17NY-2
Molecular Weight228.15 g/mol
Exact Mass228.04
IUPAC Name1-(3-methylbutan-2-yl)pyrrolidin-5-ide;yttrium
SMILES[CH2-]C(C(C)C)N1[CH-]CCC1.[Y]
InChIInChI=1S/C9H17N.Y/c1-8(2)9(3)10-6-4-5-7-10;/h6,8-9H,3-5,7H2,1-2H3;/q-2;
InChIKeyPVXOTCGKDIZWOA-UHFFFAOYSA-N
XLogP2.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 52.10
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-(3-methylbutan-2-yl)pyrrolidin-5-ide;yttrium?
The IUPAC name of 1-(3-methylbutan-2-yl)pyrrolidin-5-ide;yttrium (CID 164767535) is 1-(3-methylbutan-2-yl)pyrrolidin-5-ide;yttrium.
What is the SMILES notation for 1-(3-methylbutan-2-yl)pyrrolidin-5-ide;yttrium?
The canonical SMILES for 1-(3-methylbutan-2-yl)pyrrolidin-5-ide;yttrium is [CH2-]C(C(C)C)N1[CH-]CCC1.[Y].
What is the InChIKey of 1-(3-methylbutan-2-yl)pyrrolidin-5-ide;yttrium?
The InChIKey is PVXOTCGKDIZWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.Y/c1-8(2)9(3)10-6-4-5-7-10;/h6,8-9H,3-5,7H2,1-2H3;/q-2;.
What are the key properties of 1-(3-methylbutan-2-yl)pyrrolidin-5-ide;yttrium?
1-(3-methylbutan-2-yl)pyrrolidin-5-ide;yttrium has a molecular weight of 228.15 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)pyrrolidin-5-ide;yttrium is sourced from PubChem (CID 164767535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).