(3Z)-3-[(Z)-but-2-enylidene]-2H-pyridine

C9H11N — CID 126688033

IUPAC(3Z)-3-[(Z)-but-2-enylidene]-2H-pyridine
SMILESC/C=C\C=C1\C=CC=NC1
InChIInChI=1S/C9H11N/c1-2-3-5-9-6-4-7-10-8-9/h2-7H,8H2,1H3/b3-2-,9-5-
InChIKeyAKNDJEIEUCACPM-RWFDEGICSA-N
MW133.19 g/mol
LogP2.13
Rot. Bonds1

About (3Z)-3-[(Z)-but-2-enylidene]-2H-pyridine

(3Z)-3-[(Z)-but-2-enylidene]-2H-pyridine (PubChem CID 126688033) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (3Z)-3-[(Z)-but-2-enylidene]-2H-pyridine.

Molecular Properties

Compound Name(3Z)-3-[(Z)-but-2-enylidene]-2H-pyridine
PubChem CID126688033
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(3Z)-3-[(Z)-but-2-enylidene]-2H-pyridine
SMILESC/C=C\C=C1\C=CC=NC1
InChIInChI=1S/C9H11N/c1-2-3-5-9-6-4-7-10-8-9/h2-7H,8H2,1H3/b3-2-,9-5-
InChIKeyAKNDJEIEUCACPM-RWFDEGICSA-N
XLogP2.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-2H-pyridine?
The IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-2H-pyridine (CID 126688033) is (3Z)-3-[(Z)-but-2-enylidene]-2H-pyridine.
What is the SMILES notation for (3Z)-3-[(Z)-but-2-enylidene]-2H-pyridine?
The canonical SMILES for (3Z)-3-[(Z)-but-2-enylidene]-2H-pyridine is C/C=C\C=C1\C=CC=NC1.
What is the InChIKey of (3Z)-3-[(Z)-but-2-enylidene]-2H-pyridine?
The InChIKey is AKNDJEIEUCACPM-RWFDEGICSA-N. The full InChI is InChI=1S/C9H11N/c1-2-3-5-9-6-4-7-10-8-9/h2-7H,8H2,1H3/b3-2-,9-5-.
What are the key properties of (3Z)-3-[(Z)-but-2-enylidene]-2H-pyridine?
(3Z)-3-[(Z)-but-2-enylidene]-2H-pyridine has a molecular weight of 133.19 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-but-2-enylidene]-2H-pyridine is sourced from PubChem (CID 126688033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).