2,3-dimethanidylidene-1H-pyrrole;yttrium

C6H5NY-2 — CID 58632004

IUPAC2,3-dimethanidylidene-1H-pyrrole;yttrium
SMILES[H]/[C-]=c1\[nH]cc\c1=[C-]/[H].[Y]
InChIInChI=1S/C6H5N.Y/c1-5-3-4-7-6(5)2;/h1-4,7H;/q-2;
InChIKeyCKRJNCIOTZRSEC-UHFFFAOYSA-N
MW180.02 g/mol
LogP-0.41
Rot. Bonds

About 2,3-dimethanidylidene-1H-pyrrole;yttrium

2,3-dimethanidylidene-1H-pyrrole;yttrium (PubChem CID 58632004) has the molecular formula C6H5NY-2 and a molecular weight of 180.02 g/mol. Its IUPAC name is 2,3-dimethanidylidene-1H-pyrrole;yttrium.

Molecular Properties

Compound Name2,3-dimethanidylidene-1H-pyrrole;yttrium
PubChem CID58632004
Molecular FormulaC6H5NY-2
Molecular Weight180.02 g/mol
Exact Mass179.95
IUPAC Name2,3-dimethanidylidene-1H-pyrrole;yttrium
SMILES[H]/[C-]=c1\[nH]cc\c1=[C-]/[H].[Y]
InChIInChI=1S/C6H5N.Y/c1-5-3-4-7-6(5)2;/h1-4,7H;/q-2;
InChIKeyCKRJNCIOTZRSEC-UHFFFAOYSA-N
XLogP-0.41
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.02
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Methylenpyrrolin
CID 20094660
(3E)-3-(fluoromethylidene)-2-methylidene-1H-pyrrole
CID 177159990
CID 139244220
CID 139244220
2,3-dimethylidene-1H-pyrrole
CID 23571380
1H-cyclopenta[b]pyrrole
CID 53671131
2-Phenyl-1,3-dihydropyrrol-3-ide;yttrium
CID 58813739
3-Ethenyl-1,2-dihydropyrrol-2-ide;yttrium
CID 58813956
2,3-bis(ethenylidene)-1H-pyrrole
CID 89376327
5-methylidene-1H-cyclopenta[b]pyrrole
CID 91054673
1,5-Dihydrocyclopenta[b]pyrrole;molecular hydrogen
CID 144001786
2,3-dimethylidene-1H-pyrrole;ethane
CID 145117816
1,5-Dihydrocyclopenta[b]pyrrole
CID 144001787

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethanidylidene-1H-pyrrole;yttrium?
The IUPAC name of 2,3-dimethanidylidene-1H-pyrrole;yttrium (CID 58632004) is 2,3-dimethanidylidene-1H-pyrrole;yttrium.
What is the SMILES notation for 2,3-dimethanidylidene-1H-pyrrole;yttrium?
The canonical SMILES for 2,3-dimethanidylidene-1H-pyrrole;yttrium is [H]/[C-]=c1\[nH]cc\c1=[C-]/[H].[Y].
What is the InChIKey of 2,3-dimethanidylidene-1H-pyrrole;yttrium?
The InChIKey is CKRJNCIOTZRSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N.Y/c1-5-3-4-7-6(5)2;/h1-4,7H;/q-2;.
What are the key properties of 2,3-dimethanidylidene-1H-pyrrole;yttrium?
2,3-dimethanidylidene-1H-pyrrole;yttrium has a molecular weight of 180.02 g/mol, XLogP of -0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethanidylidene-1H-pyrrole;yttrium is sourced from PubChem (CID 58632004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).