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

C9H11N — CID 88542841

IUPAC(2E)-2-[(Z)-but-2-enylidene]-3H-pyridine
SMILESC/C=C\C=C1/CC=CC=N1
InChIInChI=1S/C9H11N/c1-2-3-6-9-7-4-5-8-10-9/h2-6,8H,7H2,1H3/b3-2-,9-6+
InChIKeyPEZUPLNCLAMXRV-NRNOEJAFSA-N
MW133.19 g/mol
LogP2.48
Rot. Bonds1

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

(2E)-2-[(Z)-but-2-enylidene]-3H-pyridine (PubChem CID 88542841) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-3H-pyridine.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-3H-pyridine
PubChem CID88542841
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-3H-pyridine
SMILESC/C=C\C=C1/CC=CC=N1
InChIInChI=1S/C9H11N/c1-2-3-6-9-7-4-5-8-10-9/h2-6,8H,7H2,1H3/b3-2-,9-6+
InChIKeyPEZUPLNCLAMXRV-NRNOEJAFSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-3H-pyridine?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-3H-pyridine (CID 88542841) is (2E)-2-[(Z)-but-2-enylidene]-3H-pyridine.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-3H-pyridine?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-3H-pyridine is C/C=C\C=C1/CC=CC=N1.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-3H-pyridine?
The InChIKey is PEZUPLNCLAMXRV-NRNOEJAFSA-N. The full InChI is InChI=1S/C9H11N/c1-2-3-6-9-7-4-5-8-10-9/h2-6,8H,7H2,1H3/b3-2-,9-6+.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-3H-pyridine?
(2E)-2-[(Z)-but-2-enylidene]-3H-pyridine has a molecular weight of 133.19 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-enylidene]-3H-pyridine is sourced from PubChem (CID 88542841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).