2-prop-2-enylidene-1H-pyridine

C8H9N — CID 123709702

IUPAC2-prop-2-enylidene-1H-pyridine
SMILESC=CC=C1C=CC=CN1
InChIInChI=1S/C8H9N/c1-2-5-8-6-3-4-7-9-8/h2-7,9H,1H2
InChIKeyCLOBBRYRCCNEDG-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.73
Rot. Bonds1

About 2-prop-2-enylidene-1H-pyridine

2-prop-2-enylidene-1H-pyridine (PubChem CID 123709702) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 2-prop-2-enylidene-1H-pyridine.

Molecular Properties

Compound Name2-prop-2-enylidene-1H-pyridine
PubChem CID123709702
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name2-prop-2-enylidene-1H-pyridine
SMILESC=CC=C1C=CC=CN1
InChIInChI=1S/C8H9N/c1-2-5-8-6-3-4-7-9-8/h2-7,9H,1H2
InChIKeyCLOBBRYRCCNEDG-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylidene-1H-pyridine?
The IUPAC name of 2-prop-2-enylidene-1H-pyridine (CID 123709702) is 2-prop-2-enylidene-1H-pyridine.
What is the SMILES notation for 2-prop-2-enylidene-1H-pyridine?
The canonical SMILES for 2-prop-2-enylidene-1H-pyridine is C=CC=C1C=CC=CN1.
What is the InChIKey of 2-prop-2-enylidene-1H-pyridine?
The InChIKey is CLOBBRYRCCNEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-2-5-8-6-3-4-7-9-8/h2-7,9H,1H2.
What are the key properties of 2-prop-2-enylidene-1H-pyridine?
2-prop-2-enylidene-1H-pyridine has a molecular weight of 119.17 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylidene-1H-pyridine is sourced from PubChem (CID 123709702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).