1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone

C10H19N3O — CID 58849809

IUPAC1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone
SMILESCNC1CCC2NCC(C(C)=O)N2C1
InChIInChI=1S/C10H19N3O/c1-7(14)9-5-12-10-4-3-8(11-2)6-13(9)10/h8-12H,3-6H2,1-2H3
InChIKeyNWTVYVJSHUOOCE-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.44
Rot. Bonds2

About 1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone

1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone (PubChem CID 58849809) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone
PubChem CID58849809
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone
SMILESCNC1CCC2NCC(C(C)=O)N2C1
InChIInChI=1S/C10H19N3O/c1-7(14)9-5-12-10-4-3-8(11-2)6-13(9)10/h8-12H,3-6H2,1-2H3
InChIKeyNWTVYVJSHUOOCE-UHFFFAOYSA-N
XLogP-0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone with MolForge

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Related Compounds

1,2,3,5,6,8a-Hexahydroimidazo[1,2-a]pyridine-7,8-dione
CID 19888489
(8aS)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one
CID 55300034
3-acetyl-6-(methylamino)-2,3,6,7,8,8a-hexahydro-1H-imidazo[1,2-a]pyridin-5-one
CID 58849993
4-acetyl-7-(methylamino)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
CID 58850058
1-(6-Ethyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl)ethanone
CID 68267253
1-[2-Ethyl-3-[2-(methylamino)ethyl]imidazolidin-4-yl]ethanone
CID 68377001
(4aS)-2-(azetidin-3-yl)-1,3,4,4a,5,7-hexahydropyrrolo[1,2-c]pyrimidin-6-one
CID 68778759
2,3,5,6,7,8a-hexahydro-1H-imidazo[1,5-a]pyridin-8-one
CID 69461163
2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one
CID 76225453
2,3,4,6,7,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-one
CID 89484865
1-Piperazin-2-yl-3-pyrrolidin-1-ylpropan-1-one
CID 91433839
4-Amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrrolidin-3-one
CID 141080426

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone?
The IUPAC name of 1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone (CID 58849809) is 1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone is CNC1CCC2NCC(C(C)=O)N2C1.
What is the InChIKey of 1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone?
The InChIKey is NWTVYVJSHUOOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(14)9-5-12-10-4-3-8(11-2)6-13(9)10/h8-12H,3-6H2,1-2H3.
What are the key properties of 1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone?
1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone has a molecular weight of 197.28 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 58849809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).