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

Name: (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₃NO₂ — CID 134715011

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

SMILESCO[C@]12CCCN1C(=O)CC2

InChIInChI=1S/C8H13NO2/c1-11-8-4-2-6-9(8)7(10)3-5-8/h2-6H2,1H3/t8-/m0/s1

InChIKeyGDAIAQLKZOBITI-QMMMGPOBSA-N

MW155.20 g/mol

LogP0.75

Rot. Bonds1

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

(8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 134715011) has the molecular formula C₈H₁₃NO₂ and a molecular weight of 155.20 g/mol. Its IUPAC name is (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name	(8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID	134715011
Molecular Formula	C₈H₁₃NO₂
Molecular Weight	155.20 g/mol
Exact Mass	155.09
IUPAC Name	(8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILES	CO[C@]12CCCN1C(=O)CC2
InChI	InChI=1S/C8H13NO2/c1-11-8-4-2-6-9(8)7(10)3-5-8/h2-6H2,1H3/t8-/m0/s1
InChIKey	GDAIAQLKZOBITI-QMMMGPOBSA-N
XLogP	0.75
TPSA	29.54 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	155.20
LogP ≤ 5	0.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?

The IUPAC name of (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 134715011) is (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

What is the SMILES notation for (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?

The canonical SMILES for (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CO[C@]12CCCN1C(=O)CC2.

What is the InChIKey of (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?

The InChIKey is GDAIAQLKZOBITI-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-8-4-2-6-9(8)7(10)3-5-8/h2-6H2,1H3/t8-/m0/s1.

What are the key properties of (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?

(8S)-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 (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 134715011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 134715011 — identifiers, structure, computed properties (public domain)

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