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

C10H17NO2 — CID 58849739

IUPAC1-(2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3-yl)ethanone
SMILESCC(=O)C1C2COCCC2CN1C
InChIInChI=1S/C10H17NO2/c1-7(12)10-9-6-13-4-3-8(9)5-11(10)2/h8-10H,3-6H2,1-2H3
InChIKeyDGDVNHOPUYLFFL-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.54
Rot. Bonds1

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

1-(2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3-yl)ethanone (PubChem CID 58849739) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3-yl)ethanone
PubChem CID58849739
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3-yl)ethanone
SMILESCC(=O)C1C2COCCC2CN1C
InChIInChI=1S/C10H17NO2/c1-7(12)10-9-6-13-4-3-8(9)5-11(10)2/h8-10H,3-6H2,1-2H3
InChIKeyDGDVNHOPUYLFFL-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3-yl)ethanone (CID 58849739) is 1-(2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3-yl)ethanone is CC(=O)C1C2COCCC2CN1C.
What is the InChIKey of 1-(2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3-yl)ethanone?
The InChIKey is DGDVNHOPUYLFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(12)10-9-6-13-4-3-8(9)5-11(10)2/h8-10H,3-6H2,1-2H3.
What are the key properties of 1-(2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3-yl)ethanone?
1-(2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3-yl)ethanone has a molecular weight of 183.25 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3-yl)ethanone is sourced from PubChem (CID 58849739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).