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

C9H15NO2 — CID 155630018

IUPAC(6S,8R)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC[C@]12CCC(=O)N1C[C@@H](O)C2
InChIInChI=1S/C9H15NO2/c1-2-9-4-3-8(12)10(9)6-7(11)5-9/h7,11H,2-6H2,1H3/t7-,9+/m0/s1
InChIKeyMWSONBATAWJSLY-IONNQARKSA-N
MW169.22 g/mol
LogP0.52
Rot. Bonds1

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

(6S,8R)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 155630018) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (6S,8R)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(6S,8R)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID155630018
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(6S,8R)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC[C@]12CCC(=O)N1C[C@@H](O)C2
InChIInChI=1S/C9H15NO2/c1-2-9-4-3-8(12)10(9)6-7(11)5-9/h7,11H,2-6H2,1H3/t7-,9+/m0/s1
InChIKeyMWSONBATAWJSLY-IONNQARKSA-N
XLogP0.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 73028037
(7R,8S)-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10749410
(1S,8S)-1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11040914
6-Fluoro-7a-(hydroxymethyl)hexahydro-3H-pyrrolizin-3-one
CID 156117399
8-Ethyl-6-hydroxy-6-(trifluoromethyl)-1,2,5,7-tetrahydropyrrolizin-3-one
CID 165162988
Rel-(2R,6R,7aS)-2-fluoro-6-hydroxy-7a-(hydroxymethyl)hexahydro-3H-pyrrolizin-3-one
CID 166137199
(6R,7aS)-6-Fluoro-7a-(hydroxymethyl)hexahydro-3H-pyrrolizin-3-one
CID 166139975
rel-(6S,8R)-6-fluoro-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 166638443
(2R,8S)-2-fluoro-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 172288125
(7S,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10511372
(1R,8S)-1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11607952
8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 15341659

Frequently Asked Questions

What is the IUPAC name of (6S,8R)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (6S,8R)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 155630018) is (6S,8R)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (6S,8R)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (6S,8R)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CC[C@]12CCC(=O)N1C[C@@H](O)C2.
What is the InChIKey of (6S,8R)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is MWSONBATAWJSLY-IONNQARKSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-9-4-3-8(12)10(9)6-7(11)5-9/h7,11H,2-6H2,1H3/t7-,9+/m0/s1.
What are the key properties of (6S,8R)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(6S,8R)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R)-8-ethyl-6-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 155630018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).