1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-7-yl)ethanone

C10H17NO2 — CID 58850042

IUPAC1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-7-yl)ethanone
SMILESCC(=O)C1C2OCCCC2CN1C
InChIInChI=1S/C10H17NO2/c1-7(12)9-10-8(6-11(9)2)4-3-5-13-10/h8-10H,3-6H2,1-2H3
InChIKeyNUNNJBWEPCVDLJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.68
Rot. Bonds1

About 1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-7-yl)ethanone

1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-7-yl)ethanone (PubChem CID 58850042) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-7-yl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-7-yl)ethanone
PubChem CID58850042
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-7-yl)ethanone
SMILESCC(=O)C1C2OCCCC2CN1C
InChIInChI=1S/C10H17NO2/c1-7(12)9-10-8(6-11(9)2)4-3-5-13-10/h8-10H,3-6H2,1-2H3
InChIKeyNUNNJBWEPCVDLJ-UHFFFAOYSA-N
XLogP0.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-7-yl)ethanone?
The IUPAC name of 1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-7-yl)ethanone (CID 58850042) is 1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-7-yl)ethanone.
What is the SMILES notation for 1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-7-yl)ethanone?
The canonical SMILES for 1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-7-yl)ethanone is CC(=O)C1C2OCCCC2CN1C.
What is the InChIKey of 1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-7-yl)ethanone?
The InChIKey is NUNNJBWEPCVDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(12)9-10-8(6-11(9)2)4-3-5-13-10/h8-10H,3-6H2,1-2H3.
What are the key properties of 1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-7-yl)ethanone?
1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-7-yl)ethanone has a molecular weight of 183.25 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-7-yl)ethanone is sourced from PubChem (CID 58850042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).