7-ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C9H15NO2 — CID 175699874

IUPAC7-ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCCC1C(O)CN2C(=O)CCC12
InChIInChI=1S/C9H15NO2/c1-2-6-7-3-4-9(12)10(7)5-8(6)11/h6-8,11H,2-5H2,1H3
InChIKeyVOXRSTBTAITAIP-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.38
Rot. Bonds1

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

7-ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 175699874) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 7-ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name7-ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID175699874
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name7-ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCCC1C(O)CN2C(=O)CCC12
InChIInChI=1S/C9H15NO2/c1-2-6-7-3-4-9(12)10(7)5-8(6)11/h6-8,11H,2-5H2,1H3
InChIKeyVOXRSTBTAITAIP-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 7-ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 175699874) is 7-ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 7-ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 7-ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CCC1C(O)CN2C(=O)CCC12.
What is the InChIKey of 7-ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is VOXRSTBTAITAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-6-7-3-4-9(12)10(7)5-8(6)11/h6-8,11H,2-5H2,1H3.
What are the key properties of 7-ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
7-ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 175699874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).