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

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

C₁₀H₁₇NO — CID 134900789

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

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

SMILESCC[C@@H]1C(=O)C[C@]2(C)CCCN12

InChIInChI=1S/C10H17NO/c1-3-8-9(12)7-10(2)5-4-6-11(8)10/h8H,3-7H2,1-2H3/t8-,10+/m1/s1

InChIKeyXVRVAPLCLBJFKY-SCZZXKLOSA-N

MW167.25 g/mol

LogP1.59

Rot. Bonds1

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

(3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one (PubChem CID 134900789) has the molecular formula C₁₀H₁₇NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one.

Molecular Properties

Compound Name	(3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one
PubChem CID	134900789
Molecular Formula	C₁₀H₁₇NO
Molecular Weight	167.25 g/mol
Exact Mass	167.13
IUPAC Name	(3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one
SMILES	CC[C@@H]1C(=O)C[C@]2(C)CCCN12
InChI	InChI=1S/C10H17NO/c1-3-8-9(12)7-10(2)5-4-6-11(8)10/h8H,3-7H2,1-2H3/t8-,10+/m1/s1
InChIKey	XVRVAPLCLBJFKY-SCZZXKLOSA-N
XLogP	1.59
TPSA	20.31 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	167.25
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of (3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one (CID 134900789) is (3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one.

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

The canonical SMILES for (3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one is CC[C@@H]1C(=O)C[C@]2(C)CCCN12.

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

The InChIKey is XVRVAPLCLBJFKY-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-8-9(12)7-10(2)5-4-6-11(8)10/h8H,3-7H2,1-2H3/t8-,10+/m1/s1.

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

(3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,8S)-3-ethyl-8-methyl-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one is sourced from PubChem (CID 134900789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 134900789 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.