8-(aminomethyl)-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one

C9H13N3O — CID 98684764

IUPAC8-(aminomethyl)-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESCc1cc(=O)n2c(c1CN)NCC2
InChIInChI=1S/C9H13N3O/c1-6-4-8(13)12-3-2-11-9(12)7(6)5-10/h4,11H,2-3,5,10H2,1H3
InChIKeyDLCJGXSWLQXIOF-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.04
Rot. Bonds1

About 8-(aminomethyl)-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one

8-(aminomethyl)-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 98684764) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 8-(aminomethyl)-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-(aminomethyl)-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID98684764
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name8-(aminomethyl)-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESCc1cc(=O)n2c(c1CN)NCC2
InChIInChI=1S/C9H13N3O/c1-6-4-8(13)12-3-2-11-9(12)7(6)5-10/h4,11H,2-3,5,10H2,1H3
InChIKeyDLCJGXSWLQXIOF-UHFFFAOYSA-N
XLogP0.04
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazo(1,2-a)pyridin-5(1H)-one, 2,3-dihydro-1,7-dimethyl-
CID 3050278
8-(1-Aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 82623915
8-(3-aminopropyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 82623916
8-(2-Aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 82623917
8-(3-Aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 82626218
8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 98771746
7-methyl-8-prop-2-enyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 10559582
7-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carbonitrile
CID 84022015
6,7,8-trimethyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 12942155
8-acetyl-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 44252074
6H-Pyrrolo[3,4-C]pyridin-6-one, 1,2,3,5-tetrahydro-2-methyl-
CID 45079775
2-methyl-7-propan-2-yl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 89024949

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 8-(aminomethyl)-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one (CID 98684764) is 8-(aminomethyl)-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 8-(aminomethyl)-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 8-(aminomethyl)-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one is Cc1cc(=O)n2c(c1CN)NCC2.
What is the InChIKey of 8-(aminomethyl)-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is DLCJGXSWLQXIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-4-8(13)12-3-2-11-9(12)7(6)5-10/h4,11H,2-3,5,10H2,1H3.
What are the key properties of 8-(aminomethyl)-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
8-(aminomethyl)-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 179.22 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 98684764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).