2,3,4-trimethyl-1,2-dihydropyrrol-3-ide;yttrium

C7H12NY- — CID 59747544

IUPAC2,3,4-trimethyl-1,2-dihydropyrrol-3-ide;yttrium
SMILESCC1=CNC(C)[C-]1C.[Y]
InChIInChI=1S/C7H12N.Y/c1-5-4-8-7(3)6(5)2;/h4,7-8H,1-3H3;/q-1;
InChIKeyVQCSSMVCZNLCEY-UHFFFAOYSA-N
MW199.09 g/mol
LogP1.47
Rot. Bonds

About 2,3,4-trimethyl-1,2-dihydropyrrol-3-ide;yttrium

2,3,4-trimethyl-1,2-dihydropyrrol-3-ide;yttrium (PubChem CID 59747544) has the molecular formula C7H12NY- and a molecular weight of 199.09 g/mol. Its IUPAC name is 2,3,4-trimethyl-1,2-dihydropyrrol-3-ide;yttrium.

Molecular Properties

Compound Name2,3,4-trimethyl-1,2-dihydropyrrol-3-ide;yttrium
PubChem CID59747544
Molecular FormulaC7H12NY-
Molecular Weight199.09 g/mol
Exact Mass199.00
IUPAC Name2,3,4-trimethyl-1,2-dihydropyrrol-3-ide;yttrium
SMILESCC1=CNC(C)[C-]1C.[Y]
InChIInChI=1S/C7H12N.Y/c1-5-4-8-7(3)6(5)2;/h4,7-8H,1-3H3;/q-1;
InChIKeyVQCSSMVCZNLCEY-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.09
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-2,3-dihydro-1H-pyrrole
CID 20227741
2,3,4-trimethyl-2,3-dihydro-1H-pyrrole
CID 59747545
1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine
CID 59872561
N,4-dimethylpent-4-en-2-amine
CID 79179572
3-ethyl-2-methyl-2,3-dihydro-1H-pyrrole
CID 89297208
4-methyl-2,3-di(propan-2-yl)-2,3-dihydro-1H-pyrrole
CID 118672528
4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole
CID 129068150
(3R)-3-ethenyl-2,4-dimethyl-2,3-dihydro-1H-pyrrole
CID 145444844
2,2,4-Trimethyl-1,3-dihydropyrrole
CID 154530393
(2R)-4-ethyl-2-methyl-2,3-dihydro-1H-pyrrole
CID 163914735
2,3,3,4-Tetramethyl-1,2-dihydropyrrole
CID 177723101
3-ethyl-4-methyl-2-propan-2-yl-2,3-dihydro-1H-pyrrole
CID 178039814

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-1,2-dihydropyrrol-3-ide;yttrium?
The IUPAC name of 2,3,4-trimethyl-1,2-dihydropyrrol-3-ide;yttrium (CID 59747544) is 2,3,4-trimethyl-1,2-dihydropyrrol-3-ide;yttrium.
What is the SMILES notation for 2,3,4-trimethyl-1,2-dihydropyrrol-3-ide;yttrium?
The canonical SMILES for 2,3,4-trimethyl-1,2-dihydropyrrol-3-ide;yttrium is CC1=CNC(C)[C-]1C.[Y].
What is the InChIKey of 2,3,4-trimethyl-1,2-dihydropyrrol-3-ide;yttrium?
The InChIKey is VQCSSMVCZNLCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N.Y/c1-5-4-8-7(3)6(5)2;/h4,7-8H,1-3H3;/q-1;.
What are the key properties of 2,3,4-trimethyl-1,2-dihydropyrrol-3-ide;yttrium?
2,3,4-trimethyl-1,2-dihydropyrrol-3-ide;yttrium has a molecular weight of 199.09 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-1,2-dihydropyrrol-3-ide;yttrium is sourced from PubChem (CID 59747544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).