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

C8H13NO2 — CID 135036655

IUPAC(1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC[C@H]1C(=O)N2CCCC2[C@H]1O
InChIInChI=1S/C8H13NO2/c1-5-7(10)6-3-2-4-9(6)8(5)11/h5-7,10H,2-4H2,1H3/t5-,6?,7+/m1/s1
InChIKeyXQWRXKSRLOQXNP-UYMSWOSGSA-N
MW155.20 g/mol
LogP-0.01
Rot. Bonds

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

(1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 135036655) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID135036655
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC[C@H]1C(=O)N2CCCC2[C@H]1O
InChIInChI=1S/C8H13NO2/c1-5-7(10)6-3-2-4-9(6)8(5)11/h5-7,10H,2-4H2,1H3/t5-,6?,7+/m1/s1
InChIKeyXQWRXKSRLOQXNP-UYMSWOSGSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dihydroxy-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 44406622
(1R,8S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 402681
hydroxyhexahydro-3H-pyrrolizin-3-one
CID 13994056
(1S,2R,8S)-1-methoxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 45089001
(1S,2S,8S)-1-methoxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134855933
(8S)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134855970
(1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 71505447
(1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10558872
3H-Pyrrolizin-3-one,hexahydro-1-methoxy-,(1S-trans)-(9CI)
CID 10986479
(1R,7AS)-1-methoxytetrahydro-1H-pyrrolizin-3(2H)-one
CID 11137384
(1R)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 13994058
1-Methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 20621358

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 135036655) is (1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is C[C@H]1C(=O)N2CCCC2[C@H]1O.
What is the InChIKey of (1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is XQWRXKSRLOQXNP-UYMSWOSGSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-7(10)6-3-2-4-9(6)8(5)11/h5-7,10H,2-4H2,1H3/t5-,6?,7+/m1/s1.
What are the key properties of (1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 155.20 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 135036655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).