4-ethylidene-1H-pyridine

C7H9N — CID 45079448

IUPAC4-ethylidene-1H-pyridine
SMILESCC=C1C=CNC=C1
InChIInChI=1S/C7H9N/c1-2-7-3-5-8-6-4-7/h2-6,8H,1H3
InChIKeyBUZABUGIUXFTRD-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.56
Rot. Bonds

About 4-ethylidene-1H-pyridine

4-ethylidene-1H-pyridine (PubChem CID 45079448) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 4-ethylidene-1H-pyridine.

Molecular Properties

Compound Name4-ethylidene-1H-pyridine
PubChem CID45079448
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name4-ethylidene-1H-pyridine
SMILESCC=C1C=CNC=C1
InChIInChI=1S/C7H9N/c1-2-7-3-5-8-6-4-7/h2-6,8H,1H3
InChIKeyBUZABUGIUXFTRD-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-1H-pyridine?
The IUPAC name of 4-ethylidene-1H-pyridine (CID 45079448) is 4-ethylidene-1H-pyridine.
What is the SMILES notation for 4-ethylidene-1H-pyridine?
The canonical SMILES for 4-ethylidene-1H-pyridine is CC=C1C=CNC=C1.
What is the InChIKey of 4-ethylidene-1H-pyridine?
The InChIKey is BUZABUGIUXFTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-2-7-3-5-8-6-4-7/h2-6,8H,1H3.
What are the key properties of 4-ethylidene-1H-pyridine?
4-ethylidene-1H-pyridine has a molecular weight of 107.16 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-1H-pyridine is sourced from PubChem (CID 45079448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).