1-methyl-3,5-dihydro-2H-pyrrol-5-ide;yttrium

C5H8NY- — CID 59153232

IUPAC1-methyl-3,5-dihydro-2H-pyrrol-5-ide;yttrium
SMILESCN1[C-]=CCC1.[Y]
InChIInChI=1S/C5H8N.Y/c1-6-4-2-3-5-6;/h2H,3,5H2,1H3;/q-1;
InChIKeyICZVDYVIUDPYRO-UHFFFAOYSA-N
MW171.03 g/mol
LogP0.64
Rot. Bonds

About 1-methyl-3,5-dihydro-2H-pyrrol-5-ide;yttrium

1-methyl-3,5-dihydro-2H-pyrrol-5-ide;yttrium (PubChem CID 59153232) has the molecular formula C5H8NY- and a molecular weight of 171.03 g/mol. Its IUPAC name is 1-methyl-3,5-dihydro-2H-pyrrol-5-ide;yttrium.

Molecular Properties

Compound Name1-methyl-3,5-dihydro-2H-pyrrol-5-ide;yttrium
PubChem CID59153232
Molecular FormulaC5H8NY-
Molecular Weight171.03 g/mol
Exact Mass170.97
IUPAC Name1-methyl-3,5-dihydro-2H-pyrrol-5-ide;yttrium
SMILESCN1[C-]=CCC1.[Y]
InChIInChI=1S/C5H8N.Y/c1-6-4-2-3-5-6;/h2H,3,5H2,1H3;/q-1;
InChIKeyICZVDYVIUDPYRO-UHFFFAOYSA-N
XLogP0.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.03
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-3,5-dihydro-2H-pyrrol-5-ide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-dihydro-2H-pyrrol-5-ide;yttrium?
The IUPAC name of 1-methyl-3,5-dihydro-2H-pyrrol-5-ide;yttrium (CID 59153232) is 1-methyl-3,5-dihydro-2H-pyrrol-5-ide;yttrium.
What is the SMILES notation for 1-methyl-3,5-dihydro-2H-pyrrol-5-ide;yttrium?
The canonical SMILES for 1-methyl-3,5-dihydro-2H-pyrrol-5-ide;yttrium is CN1[C-]=CCC1.[Y].
What is the InChIKey of 1-methyl-3,5-dihydro-2H-pyrrol-5-ide;yttrium?
The InChIKey is ICZVDYVIUDPYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N.Y/c1-6-4-2-3-5-6;/h2H,3,5H2,1H3;/q-1;.
What are the key properties of 1-methyl-3,5-dihydro-2H-pyrrol-5-ide;yttrium?
1-methyl-3,5-dihydro-2H-pyrrol-5-ide;yttrium has a molecular weight of 171.03 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-dihydro-2H-pyrrol-5-ide;yttrium is sourced from PubChem (CID 59153232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).