5-(2-methoxyethyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one

C10H19N3O2 — CID 170032308

IUPAC5-(2-methoxyethyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
SMILESCOCCN1CCC2C(C1)NC(=O)N2C
InChIInChI=1S/C10H19N3O2/c1-12-9-3-4-13(5-6-15-2)7-8(9)11-10(12)14/h8-9H,3-7H2,1-2H3,(H,11,14)
InChIKeyUCYALKGYWMRZNO-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.27
Rot. Bonds3

About 5-(2-methoxyethyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one

5-(2-methoxyethyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one (PubChem CID 170032308) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name5-(2-methoxyethyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
PubChem CID170032308
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name5-(2-methoxyethyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
SMILESCOCCN1CCC2C(C1)NC(=O)N2C
InChIInChI=1S/C10H19N3O2/c1-12-9-3-4-13(5-6-15-2)7-8(9)11-10(12)14/h8-9H,3-7H2,1-2H3,(H,11,14)
InChIKeyUCYALKGYWMRZNO-UHFFFAOYSA-N
XLogP-0.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 5-(2-methoxyethyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one (CID 170032308) is 5-(2-methoxyethyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 5-(2-methoxyethyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 5-(2-methoxyethyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one is COCCN1CCC2C(C1)NC(=O)N2C.
What is the InChIKey of 5-(2-methoxyethyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one?
The InChIKey is UCYALKGYWMRZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-12-9-3-4-13(5-6-15-2)7-8(9)11-10(12)14/h8-9H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 5-(2-methoxyethyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one?
5-(2-methoxyethyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one has a molecular weight of 213.28 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 170032308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).