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

C9H12N2O2 — CID 153217236

IUPAC(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl) formate
SMILESCc1c(OC=O)nc2n1CCCC2
InChIInChI=1S/C9H12N2O2/c1-7-9(13-6-12)10-8-4-2-3-5-11(7)8/h6H,2-5H2,1H3
InChIKeyWMYKVNHDONHXSO-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.06
Rot. Bonds2

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

(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl) formate (PubChem CID 153217236) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl) formate.

Molecular Properties

Compound Name(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl) formate
PubChem CID153217236
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl) formate
SMILESCc1c(OC=O)nc2n1CCCC2
InChIInChI=1S/C9H12N2O2/c1-7-9(13-6-12)10-8-4-2-3-5-11(7)8/h6H,2-5H2,1H3
InChIKeyWMYKVNHDONHXSO-UHFFFAOYSA-N
XLogP1.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl) formate?
The IUPAC name of (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl) formate (CID 153217236) is (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl) formate.
What is the SMILES notation for (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl) formate?
The canonical SMILES for (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl) formate is Cc1c(OC=O)nc2n1CCCC2.
What is the InChIKey of (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl) formate?
The InChIKey is WMYKVNHDONHXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7-9(13-6-12)10-8-4-2-3-5-11(7)8/h6H,2-5H2,1H3.
What are the key properties of (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl) formate?
(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl) formate has a molecular weight of 180.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl) formate is sourced from PubChem (CID 153217236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).