5-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C8H13NO2 — CID 20682627

IUPAC5-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCOC1CCC2CCC(=O)N21
InChIInChI=1S/C8H13NO2/c1-11-8-5-3-6-2-4-7(10)9(6)8/h6,8H,2-5H2,1H3
InChIKeyRDHLRSCNTXOYBH-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.74
Rot. Bonds1

About 5-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

5-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 20682627) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name5-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID20682627
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCOC1CCC2CCC(=O)N21
InChIInChI=1S/C8H13NO2/c1-11-8-5-3-6-2-4-7(10)9(6)8/h6,8H,2-5H2,1H3
InChIKeyRDHLRSCNTXOYBH-UHFFFAOYSA-N
XLogP0.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolizin-1-one, 7-hydroxy-
CID 558383
Pyrrolam B
CID 11435063
(8R)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 15102594
(8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 134715011
Pyrrolizidine-3-one-5-ol, ethyl ether
CID 544423
methyl 3-[(3R,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl]propanoate
CID 15249737
Pyrrolizin-1-one, 7-[2,2-dimethoxy-1-propyl]-
CID 540193
Pyrrolizidine-3-one, 5-hexyloxy-
CID 580146
(5R,8S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 131176513
(5S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 69091771
(5-Oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl) hydrogen carbonate
CID 70380656
(5S,7aR)-5-Hydroxyhexahydro-3H-pyrrolizin-3-one
CID 71407578

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 5-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 20682627) is 5-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 5-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 5-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is COC1CCC2CCC(=O)N21.
What is the InChIKey of 5-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is RDHLRSCNTXOYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-8-5-3-6-2-4-7(10)9(6)8/h6,8H,2-5H2,1H3.
What are the key properties of 5-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
5-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 20682627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).