2-propylideneimidazole

C6H8N2 — CID 69283318

IUPAC2-propylideneimidazole
SMILESCCC=C1N=CC=N1
InChIInChI=1S/C6H8N2/c1-2-3-6-7-4-5-8-6/h3-5H,2H2,1H3
InChIKeyHTYPWIBXSFJIFC-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.39
Rot. Bonds1

About 2-propylideneimidazole

2-propylideneimidazole (PubChem CID 69283318) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-propylideneimidazole.

Molecular Properties

Compound Name2-propylideneimidazole
PubChem CID69283318
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2-propylideneimidazole
SMILESCCC=C1N=CC=N1
InChIInChI=1S/C6H8N2/c1-2-3-6-7-4-5-8-6/h3-5H,2H2,1H3
InChIKeyHTYPWIBXSFJIFC-UHFFFAOYSA-N
XLogP1.39
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propylideneimidazole?
The IUPAC name of 2-propylideneimidazole (CID 69283318) is 2-propylideneimidazole.
What is the SMILES notation for 2-propylideneimidazole?
The canonical SMILES for 2-propylideneimidazole is CCC=C1N=CC=N1.
What is the InChIKey of 2-propylideneimidazole?
The InChIKey is HTYPWIBXSFJIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-3-6-7-4-5-8-6/h3-5H,2H2,1H3.
What are the key properties of 2-propylideneimidazole?
2-propylideneimidazole has a molecular weight of 108.14 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylideneimidazole is sourced from PubChem (CID 69283318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).