8-ethoxy-7,7-dimethyl-1,2,5,6-tetrahydropyrrolizin-3-one

C11H19NO2 — CID 45091603

IUPAC8-ethoxy-7,7-dimethyl-1,2,5,6-tetrahydropyrrolizin-3-one
SMILESCCOC12CCC(=O)N1CCC2(C)C
InChIInChI=1S/C11H19NO2/c1-4-14-11-6-5-9(13)12(11)8-7-10(11,2)3/h4-8H2,1-3H3
InChIKeyNWRUDISLYBTYMA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds2

About 8-ethoxy-7,7-dimethyl-1,2,5,6-tetrahydropyrrolizin-3-one

8-ethoxy-7,7-dimethyl-1,2,5,6-tetrahydropyrrolizin-3-one (PubChem CID 45091603) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 8-ethoxy-7,7-dimethyl-1,2,5,6-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name8-ethoxy-7,7-dimethyl-1,2,5,6-tetrahydropyrrolizin-3-one
PubChem CID45091603
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name8-ethoxy-7,7-dimethyl-1,2,5,6-tetrahydropyrrolizin-3-one
SMILESCCOC12CCC(=O)N1CCC2(C)C
InChIInChI=1S/C11H19NO2/c1-4-14-11-6-5-9(13)12(11)8-7-10(11,2)3/h4-8H2,1-3H3
InChIKeyNWRUDISLYBTYMA-UHFFFAOYSA-N
XLogP1.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-7,7-dimethyl-1,2,5,6-tetrahydropyrrolizin-3-one?
The IUPAC name of 8-ethoxy-7,7-dimethyl-1,2,5,6-tetrahydropyrrolizin-3-one (CID 45091603) is 8-ethoxy-7,7-dimethyl-1,2,5,6-tetrahydropyrrolizin-3-one.
What is the SMILES notation for 8-ethoxy-7,7-dimethyl-1,2,5,6-tetrahydropyrrolizin-3-one?
The canonical SMILES for 8-ethoxy-7,7-dimethyl-1,2,5,6-tetrahydropyrrolizin-3-one is CCOC12CCC(=O)N1CCC2(C)C.
What is the InChIKey of 8-ethoxy-7,7-dimethyl-1,2,5,6-tetrahydropyrrolizin-3-one?
The InChIKey is NWRUDISLYBTYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-14-11-6-5-9(13)12(11)8-7-10(11,2)3/h4-8H2,1-3H3.
What are the key properties of 8-ethoxy-7,7-dimethyl-1,2,5,6-tetrahydropyrrolizin-3-one?
8-ethoxy-7,7-dimethyl-1,2,5,6-tetrahydropyrrolizin-3-one has a molecular weight of 197.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-7,7-dimethyl-1,2,5,6-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 45091603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).