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

C8H13NO2 — CID 44513060

IUPAC(1S,7R,8S)-1-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC[C@@H]1CCN2C(=O)C[C@H](O)[C@H]12
InChIInChI=1S/C8H13NO2/c1-5-2-3-9-7(11)4-6(10)8(5)9/h5-6,8,10H,2-4H2,1H3/t5-,6+,8+/m1/s1
InChIKeyZGJQIXMTRVELLU-CHKWXVPMSA-N
MW155.20 g/mol
LogP-0.01
Rot. Bonds

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

(1S,7R,8S)-1-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 44513060) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S,7R,8S)-1-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(1S,7R,8S)-1-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID44513060
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1S,7R,8S)-1-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC[C@@H]1CCN2C(=O)C[C@H](O)[C@H]12
InChIInChI=1S/C8H13NO2/c1-5-2-3-9-7(11)4-6(10)8(5)9/h5-6,8,10H,2-4H2,1H3/t5-,6+,8+/m1/s1
InChIKeyZGJQIXMTRVELLU-CHKWXVPMSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(7R,8S)-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10749410
Rel-(2R,6R,7aS)-2-fluoro-6-hydroxy-7a-(hydroxymethyl)hexahydro-3H-pyrrolizin-3-one
CID 166137199
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)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 135036655
(1S,2R,6R,8R)-7,7-difluoro-1,2-dihydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 71505447
2-fluoro-6-hydroxy-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 168484872
(1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10558872

Frequently Asked Questions

What is the IUPAC name of (1S,7R,8S)-1-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (1S,7R,8S)-1-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 44513060) is (1S,7R,8S)-1-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (1S,7R,8S)-1-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (1S,7R,8S)-1-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is C[C@@H]1CCN2C(=O)C[C@H](O)[C@H]12.
What is the InChIKey of (1S,7R,8S)-1-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is ZGJQIXMTRVELLU-CHKWXVPMSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-2-3-9-7(11)4-6(10)8(5)9/h5-6,8,10H,2-4H2,1H3/t5-,6+,8+/m1/s1.
What are the key properties of (1S,7R,8S)-1-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(1S,7R,8S)-1-hydroxy-7-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,7R,8S)-1-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 44513060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).