5-methyl-3-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C12H18N2O — CID 117149974

IUPAC5-methyl-3-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCc2cnc(C3CCCO3)n21
InChIInChI=1S/C12H18N2O/c1-9-4-2-5-10-8-13-12(14(9)10)11-6-3-7-15-11/h8-9,11H,2-7H2,1H3
InChIKeyXFOAFHISGZNQRX-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.63
Rot. Bonds1

About 5-methyl-3-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

5-methyl-3-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117149974) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-methyl-3-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-methyl-3-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117149974
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-methyl-3-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCc2cnc(C3CCCO3)n21
InChIInChI=1S/C12H18N2O/c1-9-4-2-5-10-8-13-12(14(9)10)11-6-3-7-15-11/h8-9,11H,2-7H2,1H3
InChIKeyXFOAFHISGZNQRX-UHFFFAOYSA-N
XLogP2.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 5-methyl-3-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117149974) is 5-methyl-3-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 5-methyl-3-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 5-methyl-3-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC1CCCc2cnc(C3CCCO3)n21.
What is the InChIKey of 5-methyl-3-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is XFOAFHISGZNQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-4-2-5-10-8-13-12(14(9)10)11-6-3-7-15-11/h8-9,11H,2-7H2,1H3.
What are the key properties of 5-methyl-3-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
5-methyl-3-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 206.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117149974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).