(6R,7S,8R,8aR)-6,7,8-trihydroxy-8a-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one

C9H15NO4 — CID 11030858

IUPAC(6R,7S,8R,8aR)-6,7,8-trihydroxy-8a-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
SMILESC[C@]12CCC(=O)N1C[C@@H](O)[C@H](O)[C@@H]2O
InChIInChI=1S/C9H15NO4/c1-9-3-2-6(12)10(9)4-5(11)7(13)8(9)14/h5,7-8,11,13-14H,2-4H2,1H3/t5-,7+,8+,9-/m1/s1
InChIKeyVWCZUZIXRQAXPL-RSWFSCQZSA-N
MW201.22 g/mol
LogP-1.54
Rot. Bonds

About (6R,7S,8R,8aR)-6,7,8-trihydroxy-8a-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one

(6R,7S,8R,8aR)-6,7,8-trihydroxy-8a-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one (PubChem CID 11030858) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (6R,7S,8R,8aR)-6,7,8-trihydroxy-8a-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one.

Molecular Properties

Compound Name(6R,7S,8R,8aR)-6,7,8-trihydroxy-8a-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
PubChem CID11030858
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(6R,7S,8R,8aR)-6,7,8-trihydroxy-8a-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
SMILESC[C@]12CCC(=O)N1C[C@@H](O)[C@H](O)[C@@H]2O
InChIInChI=1S/C9H15NO4/c1-9-3-2-6(12)10(9)4-5(11)7(13)8(9)14/h5,7-8,11,13-14H,2-4H2,1H3/t5-,7+,8+,9-/m1/s1
InChIKeyVWCZUZIXRQAXPL-RSWFSCQZSA-N
XLogP-1.54
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (6R,7S,8R,8aR)-6,7,8-trihydroxy-8a-methyl-1,2,5,6,7,8-hexahydroindolizin-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

(6R,7R,8R,8aR)-6,7,8-trihydroxy-8a-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 122191254
(6S,7R,8R,8aS)-6,7,8-trihydroxy-8a-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 122191256
(6S,7R,8R,8aR)-6,7,8-trihydroxy-8a-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 122191257
(1S,6S,7R,8R,8aR)-1,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11435629
(6S,7S,8S,8aR)-6,7,8-trihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 57385439
(1S,2R,8R,8aR)-1,2-dihydroxy-8-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 101371562
(6R,7S,8aR)-8a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 101394080
(6S,7S,8S,8aS)-6-ethyl-7,8-dihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131003933
(1S,8R)-1,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 134939123
(6S,7S,8S,8aS)-6-Ethyl-7,8-dihydroxy-1,5,6,7,8,8a-hexahydroindolizin-3(2H)-one monohydrate
CID 139080075
(6S,7S,8S,8aS)-6,7,8-trihydroxy-8a-methoxy-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 10584860
(1R,6S,7R,8R,8aR)-1,6,7,8-tetrahydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 101722684

Frequently Asked Questions

What is the IUPAC name of (6R,7S,8R,8aR)-6,7,8-trihydroxy-8a-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one?
The IUPAC name of (6R,7S,8R,8aR)-6,7,8-trihydroxy-8a-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one (CID 11030858) is (6R,7S,8R,8aR)-6,7,8-trihydroxy-8a-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one.
What is the SMILES notation for (6R,7S,8R,8aR)-6,7,8-trihydroxy-8a-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one?
The canonical SMILES for (6R,7S,8R,8aR)-6,7,8-trihydroxy-8a-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one is C[C@]12CCC(=O)N1C[C@@H](O)[C@H](O)[C@@H]2O.
What is the InChIKey of (6R,7S,8R,8aR)-6,7,8-trihydroxy-8a-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one?
The InChIKey is VWCZUZIXRQAXPL-RSWFSCQZSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9-3-2-6(12)10(9)4-5(11)7(13)8(9)14/h5,7-8,11,13-14H,2-4H2,1H3/t5-,7+,8+,9-/m1/s1.
What are the key properties of (6R,7S,8R,8aR)-6,7,8-trihydroxy-8a-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one?
(6R,7S,8R,8aR)-6,7,8-trihydroxy-8a-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one has a molecular weight of 201.22 g/mol, XLogP of -1.54, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S,8R,8aR)-6,7,8-trihydroxy-8a-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one is sourced from PubChem (CID 11030858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).