7-ethyl-6-methyl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one

C10H17NO2 — CID 170110313

IUPAC7-ethyl-6-methyl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one
SMILESCCC1C2OCCC2CC(=O)N1C
InChIInChI=1S/C10H17NO2/c1-3-8-10-7(4-5-13-10)6-9(12)11(8)2/h7-8,10H,3-6H2,1-2H3
InChIKeyRXLFLVXVIWQJPU-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.03
Rot. Bonds1

About 7-ethyl-6-methyl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one

7-ethyl-6-methyl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one (PubChem CID 170110313) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 7-ethyl-6-methyl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one.

Molecular Properties

Compound Name7-ethyl-6-methyl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one
PubChem CID170110313
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name7-ethyl-6-methyl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one
SMILESCCC1C2OCCC2CC(=O)N1C
InChIInChI=1S/C10H17NO2/c1-3-8-10-7(4-5-13-10)6-9(12)11(8)2/h7-8,10H,3-6H2,1-2H3
InChIKeyRXLFLVXVIWQJPU-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-methyl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one?
The IUPAC name of 7-ethyl-6-methyl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one (CID 170110313) is 7-ethyl-6-methyl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one.
What is the SMILES notation for 7-ethyl-6-methyl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one?
The canonical SMILES for 7-ethyl-6-methyl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one is CCC1C2OCCC2CC(=O)N1C.
What is the InChIKey of 7-ethyl-6-methyl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one?
The InChIKey is RXLFLVXVIWQJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-8-10-7(4-5-13-10)6-9(12)11(8)2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 7-ethyl-6-methyl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one?
7-ethyl-6-methyl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one has a molecular weight of 183.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-methyl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one is sourced from PubChem (CID 170110313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).