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

C10H17NO3 — CID 102052252

IUPAC8-ethoxy-7-hydroxy-7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one
SMILESCCOC12CCC(=O)N1CCC2(C)O
InChIInChI=1S/C10H17NO3/c1-3-14-10-5-4-8(12)11(10)7-6-9(10,2)13/h13H,3-7H2,1-2H3
InChIKeyLUEMSSXNIKTBGV-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.50
Rot. Bonds2

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

8-ethoxy-7-hydroxy-7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one (PubChem CID 102052252) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 8-ethoxy-7-hydroxy-7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name8-ethoxy-7-hydroxy-7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one
PubChem CID102052252
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name8-ethoxy-7-hydroxy-7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one
SMILESCCOC12CCC(=O)N1CCC2(C)O
InChIInChI=1S/C10H17NO3/c1-3-14-10-5-4-8(12)11(10)7-6-9(10,2)13/h13H,3-7H2,1-2H3
InChIKeyLUEMSSXNIKTBGV-UHFFFAOYSA-N
XLogP0.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7aR)-7a-(2-hydroxypropan-2-yl)spiro[6,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-3,1'-cyclohexane]-5-one
CID 138969545
8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 167241280
7,8-Dihydroxy-7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one
CID 102052250
7-Hydroxy-7-methyl-8-propan-2-yloxy-1,2,5,6-tetrahydropyrrolizin-3-one
CID 102052251
(7S,8S)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 102052256
(7S,8R)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 102052257
(6R,7S,8S)-6,7-dihydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 130961806

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-7-hydroxy-7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one?
The IUPAC name of 8-ethoxy-7-hydroxy-7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one (CID 102052252) is 8-ethoxy-7-hydroxy-7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one.
What is the SMILES notation for 8-ethoxy-7-hydroxy-7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one?
The canonical SMILES for 8-ethoxy-7-hydroxy-7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one is CCOC12CCC(=O)N1CCC2(C)O.
What is the InChIKey of 8-ethoxy-7-hydroxy-7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one?
The InChIKey is LUEMSSXNIKTBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-14-10-5-4-8(12)11(10)7-6-9(10,2)13/h13H,3-7H2,1-2H3.
What are the key properties of 8-ethoxy-7-hydroxy-7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one?
8-ethoxy-7-hydroxy-7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one has a molecular weight of 199.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-7-hydroxy-7-methyl-1,2,5,6-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 102052252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).