8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C8H13NO2 — CID 15341660

IUPAC8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC1CCN2C(=O)CCC12O
InChIInChI=1S/C8H13NO2/c1-6-3-5-9-7(10)2-4-8(6,9)11/h6,11H,2-5H2,1H3
InChIKeyFKBQOWSPKBHXFN-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.34
Rot. Bonds

About 8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 15341660) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID15341660
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC1CCN2C(=O)CCC12O
InChIInChI=1S/C8H13NO2/c1-6-3-5-9-7(10)2-4-8(6,9)11/h6,11H,2-5H2,1H3
InChIKeyFKBQOWSPKBHXFN-UHFFFAOYSA-N
XLogP0.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8R)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 13546480
3H-Pyrrolizin-3-one, hexahydro-7a-hydroxy-
CID 11309562
1-(Hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 73028037
(7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10606815
(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
(1S,8S)-1-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10997108
(1R,8S)-1-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10898791
(7S,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10511372
(7R,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10678312
(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 8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 15341660) is 8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CC1CCN2C(=O)CCC12O.
What is the InChIKey of 8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is FKBQOWSPKBHXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6-3-5-9-7(10)2-4-8(6,9)11/h6,11H,2-5H2,1H3.
What are the key properties of 8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 15341660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).