3-(2H-pyrrol-1-id-3-ylidenemethyl)-2H-pyrrole;scandium

C9H9N2Sc- — CID 59096490

IUPAC3-(2H-pyrrol-1-id-3-ylidenemethyl)-2H-pyrrole;scandium
SMILESC1=CC(=CC2=CC=NC2)C[N-]1.[Sc]
InChIInChI=1S/C9H9N2.Sc/c1-3-10-6-8(1)5-9-2-4-11-7-9;/h1-5H,6-7H2;/q-1;
InChIKeyLIDPGDFPRJRVDR-UHFFFAOYSA-N
MW190.14 g/mol
LogP1.82
Rot. Bonds1

About 3-(2H-pyrrol-1-id-3-ylidenemethyl)-2H-pyrrole;scandium

3-(2H-pyrrol-1-id-3-ylidenemethyl)-2H-pyrrole;scandium (PubChem CID 59096490) has the molecular formula C9H9N2Sc- and a molecular weight of 190.14 g/mol. Its IUPAC name is 3-(2H-pyrrol-1-id-3-ylidenemethyl)-2H-pyrrole;scandium.

Molecular Properties

Compound Name3-(2H-pyrrol-1-id-3-ylidenemethyl)-2H-pyrrole;scandium
PubChem CID59096490
Molecular FormulaC9H9N2Sc-
Molecular Weight190.14 g/mol
Exact Mass190.03
IUPAC Name3-(2H-pyrrol-1-id-3-ylidenemethyl)-2H-pyrrole;scandium
SMILESC1=CC(=CC2=CC=NC2)C[N-]1.[Sc]
InChIInChI=1S/C9H9N2.Sc/c1-3-10-6-8(1)5-9-2-4-11-7-9;/h1-5H,6-7H2;/q-1;
InChIKeyLIDPGDFPRJRVDR-UHFFFAOYSA-N
XLogP1.82
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-pyrrol-1-id-3-ylidenemethyl)-2H-pyrrole;scandium?
The IUPAC name of 3-(2H-pyrrol-1-id-3-ylidenemethyl)-2H-pyrrole;scandium (CID 59096490) is 3-(2H-pyrrol-1-id-3-ylidenemethyl)-2H-pyrrole;scandium.
What is the SMILES notation for 3-(2H-pyrrol-1-id-3-ylidenemethyl)-2H-pyrrole;scandium?
The canonical SMILES for 3-(2H-pyrrol-1-id-3-ylidenemethyl)-2H-pyrrole;scandium is C1=CC(=CC2=CC=NC2)C[N-]1.[Sc].
What is the InChIKey of 3-(2H-pyrrol-1-id-3-ylidenemethyl)-2H-pyrrole;scandium?
The InChIKey is LIDPGDFPRJRVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2.Sc/c1-3-10-6-8(1)5-9-2-4-11-7-9;/h1-5H,6-7H2;/q-1;.
What are the key properties of 3-(2H-pyrrol-1-id-3-ylidenemethyl)-2H-pyrrole;scandium?
3-(2H-pyrrol-1-id-3-ylidenemethyl)-2H-pyrrole;scandium has a molecular weight of 190.14 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-pyrrol-1-id-3-ylidenemethyl)-2H-pyrrole;scandium is sourced from PubChem (CID 59096490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).