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

C8H13NO2 — CID 102052257

IUPAC(7S,8R)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@]1(O)CCN2C(=O)CC[C@@H]21
InChIInChI=1S/C8H13NO2/c1-8(11)4-5-9-6(8)2-3-7(9)10/h6,11H,2-5H2,1H3/t6-,8+/m1/s1
InChIKeyQIGMQCHRRFKHHQ-SVRRBLITSA-N
MW155.20 g/mol
LogP0.13
Rot. Bonds

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

(7S,8R)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 102052257) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (7S,8R)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(7S,8R)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID102052257
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(7S,8R)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@]1(O)CCN2C(=O)CC[C@@H]21
InChIInChI=1S/C8H13NO2/c1-8(11)4-5-9-6(8)2-3-7(9)10/h6,11H,2-5H2,1H3/t6-,8+/m1/s1
InChIKeyQIGMQCHRRFKHHQ-SVRRBLITSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Fluoro-6-hydroxy-8-methyl-1,2,5,7-tetrahydropyrrolizin-3-one
CID 172288548
8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 117272750
8-(hydroxymethyl)-5-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 118109150
8-(hydroxymethyl)-1-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 118109153
(8R)-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 125041337
8-(hydroxymethyl)-2-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 126658716
2-hydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 143517487
1,1-Dimethyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 154465346
(6R,8R)-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 166137225
ethane;8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 169182109
ethane;8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 169182676
7-Ethyl-6-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 175699874

Frequently Asked Questions

What is the IUPAC name of (7S,8R)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (7S,8R)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one (CID 102052257) is (7S,8R)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (7S,8R)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (7S,8R)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one is C[C@]1(O)CCN2C(=O)CC[C@@H]21.
What is the InChIKey of (7S,8R)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is QIGMQCHRRFKHHQ-SVRRBLITSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(11)4-5-9-6(8)2-3-7(9)10/h6,11H,2-5H2,1H3/t6-,8+/m1/s1.
What are the key properties of (7S,8R)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
(7S,8R)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-7-hydroxy-7-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 102052257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).