8-(aminomethyl)-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one

C9H13N3O — CID 96629179

IUPAC8-(aminomethyl)-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCN1CCn2c1c(CN)ccc2=O
InChIInChI=1S/C9H13N3O/c1-11-4-5-12-8(13)3-2-7(6-10)9(11)12/h2-3H,4-6,10H2,1H3
InChIKeyWLYWUKBWEOEDGY-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.24
Rot. Bonds1

About 8-(aminomethyl)-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one

8-(aminomethyl)-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one (PubChem CID 96629179) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 8-(aminomethyl)-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-(aminomethyl)-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
PubChem CID96629179
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name8-(aminomethyl)-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCN1CCn2c1c(CN)ccc2=O
InChIInChI=1S/C9H13N3O/c1-11-4-5-12-8(13)3-2-7(6-10)9(11)12/h2-3H,4-6,10H2,1H3
InChIKeyWLYWUKBWEOEDGY-UHFFFAOYSA-N
XLogP-0.24
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The IUPAC name of 8-(aminomethyl)-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one (CID 96629179) is 8-(aminomethyl)-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 8-(aminomethyl)-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 8-(aminomethyl)-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one is CN1CCn2c1c(CN)ccc2=O.
What is the InChIKey of 8-(aminomethyl)-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The InChIKey is WLYWUKBWEOEDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-11-4-5-12-8(13)3-2-7(6-10)9(11)12/h2-3H,4-6,10H2,1H3.
What are the key properties of 8-(aminomethyl)-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
8-(aminomethyl)-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one has a molecular weight of 179.22 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 96629179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).