3-propylidene-2H-pyridine

C8H11N — CID 161281629

IUPAC3-propylidene-2H-pyridine
SMILESCCC=C1C=CC=NC1
InChIInChI=1S/C8H11N/c1-2-4-8-5-3-6-9-7-8/h3-6H,2,7H2,1H3
InChIKeyVFDYPHQSYWXYLP-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.96
Rot. Bonds1

About 3-propylidene-2H-pyridine

3-propylidene-2H-pyridine (PubChem CID 161281629) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 3-propylidene-2H-pyridine.

Molecular Properties

Compound Name3-propylidene-2H-pyridine
PubChem CID161281629
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name3-propylidene-2H-pyridine
SMILESCCC=C1C=CC=NC1
InChIInChI=1S/C8H11N/c1-2-4-8-5-3-6-9-7-8/h3-6H,2,7H2,1H3
InChIKeyVFDYPHQSYWXYLP-UHFFFAOYSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bromozinc(1+) 3-methylpyridin-2-ide
CID 16133065
4-Methyl-2,3-dihydropyridine
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3-Methylenepyridine
CID 59803326
3-Methanidylidenepyridin-1-ium
CID 59909632
Diethylideneaniline
CID 70417807
N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
3,3-Dimethylpyridine
CID 129722078
Bis-propylideneaniline
CID 129791915
Lithium 3-methylpyridin-2-ide
CID 16177570
(2Z,3Z)-2-(1-fluoroethylidene)-3-(3-fluoropropylidene)pyridine
CID 89255552
(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine
CID 90145839
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928

Frequently Asked Questions

What is the IUPAC name of 3-propylidene-2H-pyridine?
The IUPAC name of 3-propylidene-2H-pyridine (CID 161281629) is 3-propylidene-2H-pyridine.
What is the SMILES notation for 3-propylidene-2H-pyridine?
The canonical SMILES for 3-propylidene-2H-pyridine is CCC=C1C=CC=NC1.
What is the InChIKey of 3-propylidene-2H-pyridine?
The InChIKey is VFDYPHQSYWXYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-4-8-5-3-6-9-7-8/h3-6H,2,7H2,1H3.
What are the key properties of 3-propylidene-2H-pyridine?
3-propylidene-2H-pyridine has a molecular weight of 121.18 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylidene-2H-pyridine is sourced from PubChem (CID 161281629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).