5-methyl-3,4-dihydropyrrol-4-ide;yttrium

C5H6NY- — CID 58806340

IUPAC5-methyl-3,4-dihydropyrrol-4-ide;yttrium
SMILESCC1=[C-]CC=N1.[Y]
InChIInChI=1S/C5H6N.Y/c1-5-3-2-4-6-5;/h4H,2H2,1H3;/q-1;
InChIKeyMPOSFKJOJUJJBK-UHFFFAOYSA-N
MW169.02 g/mol
LogP1.17
Rot. Bonds

About 5-methyl-3,4-dihydropyrrol-4-ide;yttrium

5-methyl-3,4-dihydropyrrol-4-ide;yttrium (PubChem CID 58806340) has the molecular formula C5H6NY- and a molecular weight of 169.02 g/mol. Its IUPAC name is 5-methyl-3,4-dihydropyrrol-4-ide;yttrium.

Molecular Properties

Compound Name5-methyl-3,4-dihydropyrrol-4-ide;yttrium
PubChem CID58806340
Molecular FormulaC5H6NY-
Molecular Weight169.02 g/mol
Exact Mass168.96
IUPAC Name5-methyl-3,4-dihydropyrrol-4-ide;yttrium
SMILESCC1=[C-]CC=N1.[Y]
InChIInChI=1S/C5H6N.Y/c1-5-3-2-4-6-5;/h4H,2H2,1H3;/q-1;
InChIKeyMPOSFKJOJUJJBK-UHFFFAOYSA-N
XLogP1.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.02
LogP ≤ 51.17
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 5-methyl-3,4-dihydropyrrol-4-ide;yttrium?
The IUPAC name of 5-methyl-3,4-dihydropyrrol-4-ide;yttrium (CID 58806340) is 5-methyl-3,4-dihydropyrrol-4-ide;yttrium.
What is the SMILES notation for 5-methyl-3,4-dihydropyrrol-4-ide;yttrium?
The canonical SMILES for 5-methyl-3,4-dihydropyrrol-4-ide;yttrium is CC1=[C-]CC=N1.[Y].
What is the InChIKey of 5-methyl-3,4-dihydropyrrol-4-ide;yttrium?
The InChIKey is MPOSFKJOJUJJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N.Y/c1-5-3-2-4-6-5;/h4H,2H2,1H3;/q-1;.
What are the key properties of 5-methyl-3,4-dihydropyrrol-4-ide;yttrium?
5-methyl-3,4-dihydropyrrol-4-ide;yttrium has a molecular weight of 169.02 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-dihydropyrrol-4-ide;yttrium is sourced from PubChem (CID 58806340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).