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

C9H9NY-2 — CID 58813764

IUPAC3-but-2-en-2-yl-2H-pyridin-2-ide;yttrium
SMILESC/[C-]=C(\C)c1[c-]nccc1.[Y]
InChIInChI=1S/C9H9N.Y/c1-3-8(2)9-5-4-6-10-7-9;/h4-6H,1-2H3;/q-2;
InChIKeyVZRFHSIPNCNVCP-UHFFFAOYSA-N
MW220.08 g/mol
LogP2.11
Rot. Bonds1

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

3-but-2-en-2-yl-2H-pyridin-2-ide;yttrium (PubChem CID 58813764) has the molecular formula C9H9NY-2 and a molecular weight of 220.08 g/mol. Its IUPAC name is 3-but-2-en-2-yl-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name3-but-2-en-2-yl-2H-pyridin-2-ide;yttrium
PubChem CID58813764
Molecular FormulaC9H9NY-2
Molecular Weight220.08 g/mol
Exact Mass219.98
IUPAC Name3-but-2-en-2-yl-2H-pyridin-2-ide;yttrium
SMILESC/[C-]=C(\C)c1[c-]nccc1.[Y]
InChIInChI=1S/C9H9N.Y/c1-3-8(2)9-5-4-6-10-7-9;/h4-6H,1-2H3;/q-2;
InChIKeyVZRFHSIPNCNVCP-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

Benzazocine
CID 19879720
7aH-indole
CID 20614426
Cycloheptindole
CID 87491806
Cyclopentindole
CID 88133445
(1Z,4Z,6Z)-3-benzazocine
CID 23636835
7aH-cyclopenta[b]pyridine
CID 16685899
1H-indeno[1,2-c]pyridine
CID 17967584
1H-Cyclopenta[C]pyridine
CID 20059250
CID 54211489
CID 54211489
7-propyl-6H-indole
CID 56638971
6H-Cyclopenta[C]pyridine
CID 56972380
4H-isoindole
CID 57015883

Frequently Asked Questions

What is the IUPAC name of 3-but-2-en-2-yl-2H-pyridin-2-ide;yttrium?
The IUPAC name of 3-but-2-en-2-yl-2H-pyridin-2-ide;yttrium (CID 58813764) is 3-but-2-en-2-yl-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 3-but-2-en-2-yl-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 3-but-2-en-2-yl-2H-pyridin-2-ide;yttrium is C/[C-]=C(\C)c1[c-]nccc1.[Y].
What is the InChIKey of 3-but-2-en-2-yl-2H-pyridin-2-ide;yttrium?
The InChIKey is VZRFHSIPNCNVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.Y/c1-3-8(2)9-5-4-6-10-7-9;/h4-6H,1-2H3;/q-2;.
What are the key properties of 3-but-2-en-2-yl-2H-pyridin-2-ide;yttrium?
3-but-2-en-2-yl-2H-pyridin-2-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 3-but-2-en-2-yl-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 58813764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).