8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C8H13NO2 — CID 11435063

IUPAC8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCOC12CCCN1C(=O)CC2
InChIInChI=1S/C8H13NO2/c1-11-8-4-2-6-9(8)7(10)3-5-8/h2-6H2,1H3
InChIKeyGDAIAQLKZOBITI-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.75
Rot. Bonds1

About 8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 11435063) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID11435063
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCOC12CCCN1C(=O)CC2
InChIInChI=1S/C8H13NO2/c1-11-8-4-2-6-9(8)7(10)3-5-8/h2-6H2,1H3
InChIKeyGDAIAQLKZOBITI-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 11435063) is 8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is COC12CCCN1C(=O)CC2.
What is the InChIKey of 8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is GDAIAQLKZOBITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-8-4-2-6-9(8)7(10)3-5-8/h2-6H2,1H3.
What are the key properties of 8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 11435063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).