3-methylidene-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridine

C8H14N2 — CID 91391642

IUPAC3-methylidene-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridine
SMILESC=C1CNC2CCCCN12
InChIInChI=1S/C8H14N2/c1-7-6-9-8-4-2-3-5-10(7)8/h8-9H,1-6H2
InChIKeyDVZYEABZAIUHRX-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.92
Rot. Bonds

About 3-methylidene-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridine

3-methylidene-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridine (PubChem CID 91391642) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-methylidene-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-methylidene-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridine
PubChem CID91391642
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-methylidene-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridine
SMILESC=C1CNC2CCCCN12
InChIInChI=1S/C8H14N2/c1-7-6-9-8-4-2-3-5-10(7)8/h8-9H,1-6H2
InChIKeyDVZYEABZAIUHRX-UHFFFAOYSA-N
XLogP0.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridine?
The IUPAC name of 3-methylidene-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridine (CID 91391642) is 3-methylidene-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-methylidene-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridine?
The canonical SMILES for 3-methylidene-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridine is C=C1CNC2CCCCN12.
What is the InChIKey of 3-methylidene-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridine?
The InChIKey is DVZYEABZAIUHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7-6-9-8-4-2-3-5-10(7)8/h8-9H,1-6H2.
What are the key properties of 3-methylidene-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridine?
3-methylidene-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridine has a molecular weight of 138.21 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridine is sourced from PubChem (CID 91391642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).