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

C8H13NO2 — CID 134918376

IUPAC7-(deuteriomethyl)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILES[2H]CC1CCN2C(=O)CCC12O
InChIInChI=1S/C8H13NO2/c1-6-3-5-9-7(10)2-4-8(6,9)11/h6,11H,2-5H2,1H3/i1D
InChIKeyFKBQOWSPKBHXFN-MICDWDOJSA-N
MW156.20 g/mol
LogP0.34
Rot. Bonds1

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

7-(deuteriomethyl)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 134918376) has the molecular formula C8H13NO2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 7-(deuteriomethyl)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name7-(deuteriomethyl)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID134918376
Molecular FormulaC8H13NO2
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name7-(deuteriomethyl)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILES[2H]CC1CCN2C(=O)CCC12O
InChIInChI=1S/C8H13NO2/c1-6-3-5-9-7(10)2-4-8(6,9)11/h6,11H,2-5H2,1H3/i1D
InChIKeyFKBQOWSPKBHXFN-MICDWDOJSA-N
XLogP0.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
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 7-(deuteriomethyl)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 7-(deuteriomethyl)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 134918376) is 7-(deuteriomethyl)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 7-(deuteriomethyl)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 7-(deuteriomethyl)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is [2H]CC1CCN2C(=O)CCC12O.
What is the InChIKey of 7-(deuteriomethyl)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is FKBQOWSPKBHXFN-MICDWDOJSA-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/i1D.
What are the key properties of 7-(deuteriomethyl)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
7-(deuteriomethyl)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 156.20 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(deuteriomethyl)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 134918376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).