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

C8H13NO2 — CID 20621358

IUPAC1-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCOC1CC(=O)N2CCCC12
InChIInChI=1S/C8H13NO2/c1-11-7-5-8(10)9-4-2-3-6(7)9/h6-7H,2-5H2,1H3
InChIKeyRKVWCHREQIFPNG-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.40
Rot. Bonds1

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

1-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 20621358) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name1-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID20621358
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCOC1CC(=O)N2CCCC12
InChIInChI=1S/C8H13NO2/c1-11-7-5-8(10)9-4-2-3-6(7)9/h6-7H,2-5H2,1H3
InChIKeyRKVWCHREQIFPNG-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,8S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 402681
1-Ethyl-6-fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 176653336
hydroxyhexahydro-3H-pyrrolizin-3-one
CID 13994056
[(1R,8S)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl] methanesulfonate
CID 10998518
[(1S,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl] methanesulfonate
CID 14036623
(1S,2R,8S)-1-methoxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 45089001
(1S,2S,8S)-1-methoxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134855933
(8S)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134855970
(1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 135036655
(1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10558872
3H-Pyrrolizin-3-one,hexahydro-1-methoxy-,(1S-trans)-(9CI)
CID 10986479
(1R,7AS)-1-methoxytetrahydro-1H-pyrrolizin-3(2H)-one
CID 11137384

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 1-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 20621358) is 1-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 1-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 1-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is COC1CC(=O)N2CCCC12.
What is the InChIKey of 1-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is RKVWCHREQIFPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-7-5-8(10)9-4-2-3-6(7)9/h6-7H,2-5H2,1H3.
What are the key properties of 1-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
1-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 20621358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).