2-but-2-en-2-yl-3H-pyridin-3-ide;yttrium

C9H9NY-2 — CID 58813990

IUPAC2-but-2-en-2-yl-3H-pyridin-3-ide;yttrium
SMILESC/[C-]=C(\C)c1[c-]cccn1.[Y]
InChIInChI=1S/C9H9N.Y/c1-3-8(2)9-6-4-5-7-10-9;/h4-5,7H,1-2H3;/q-2;
InChIKeyFHFMQSYAKQCXDT-UHFFFAOYSA-N
MW220.08 g/mol
LogP2.11
Rot. Bonds1

About 2-but-2-en-2-yl-3H-pyridin-3-ide;yttrium

2-but-2-en-2-yl-3H-pyridin-3-ide;yttrium (PubChem CID 58813990) has the molecular formula C9H9NY-2 and a molecular weight of 220.08 g/mol. Its IUPAC name is 2-but-2-en-2-yl-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name2-but-2-en-2-yl-3H-pyridin-3-ide;yttrium
PubChem CID58813990
Molecular FormulaC9H9NY-2
Molecular Weight220.08 g/mol
Exact Mass219.98
IUPAC Name2-but-2-en-2-yl-3H-pyridin-3-ide;yttrium
SMILESC/[C-]=C(\C)c1[c-]cccn1.[Y]
InChIInChI=1S/C9H9N.Y/c1-3-8(2)9-6-4-5-7-10-9;/h4-5,7H,1-2H3;/q-2;
InChIKeyFHFMQSYAKQCXDT-UHFFFAOYSA-N
XLogP2.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.08
LogP ≤ 52.11
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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Related Compounds

4Hindole
CID 15011916
Indeno[1,2-b]pyrrole
CID 18925321
7aH-indole
CID 20614426
Bis(carbene)pyridine
CID 59931162
Cycloheptindole
CID 87491806
Cyclopentindole
CID 88133445
(2Z,3Z)-2-(1-fluoroethylidene)-3-(3-fluoropropylidene)pyridine
CID 89255552
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
(2Z)-2-(1-fluoroprop-2-enylidene)-3-methylidenepyridine
CID 144425521
(E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine
CID 163739316
(E)-N-[(2E)-3-fluoro-4-methylidenehepta-2,5,6-trien-2-yl]but-2-en-1-imine
CID 166976469

Frequently Asked Questions

What is the IUPAC name of 2-but-2-en-2-yl-3H-pyridin-3-ide;yttrium?
The IUPAC name of 2-but-2-en-2-yl-3H-pyridin-3-ide;yttrium (CID 58813990) is 2-but-2-en-2-yl-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 2-but-2-en-2-yl-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 2-but-2-en-2-yl-3H-pyridin-3-ide;yttrium is C/[C-]=C(\C)c1[c-]cccn1.[Y].
What is the InChIKey of 2-but-2-en-2-yl-3H-pyridin-3-ide;yttrium?
The InChIKey is FHFMQSYAKQCXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.Y/c1-3-8(2)9-6-4-5-7-10-9;/h4-5,7H,1-2H3;/q-2;.
What are the key properties of 2-but-2-en-2-yl-3H-pyridin-3-ide;yttrium?
2-but-2-en-2-yl-3H-pyridin-3-ide;yttrium has a molecular weight of 220.08 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-en-2-yl-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 58813990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).