6,8-dihydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one

C10H17NO4 — CID 91574859

IUPAC6,8-dihydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one
SMILESCC12CCC(CO)N1C(=O)C(O)CC2O
InChIInChI=1S/C10H17NO4/c1-10-3-2-6(5-12)11(10)9(15)7(13)4-8(10)14/h6-8,12-14H,2-5H2,1H3
InChIKeyWNDFVKVQZIBKJB-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.15
Rot. Bonds1

About 6,8-dihydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one

6,8-dihydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one (PubChem CID 91574859) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 6,8-dihydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one.

Molecular Properties

Compound Name6,8-dihydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one
PubChem CID91574859
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name6,8-dihydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one
SMILESCC12CCC(CO)N1C(=O)C(O)CC2O
InChIInChI=1S/C10H17NO4/c1-10-3-2-6(5-12)11(10)9(15)7(13)4-8(10)14/h6-8,12-14H,2-5H2,1H3
InChIKeyWNDFVKVQZIBKJB-UHFFFAOYSA-N
XLogP-1.15
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one?
The IUPAC name of 6,8-dihydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one (CID 91574859) is 6,8-dihydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one.
What is the SMILES notation for 6,8-dihydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one?
The canonical SMILES for 6,8-dihydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one is CC12CCC(CO)N1C(=O)C(O)CC2O.
What is the InChIKey of 6,8-dihydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one?
The InChIKey is WNDFVKVQZIBKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10-3-2-6(5-12)11(10)9(15)7(13)4-8(10)14/h6-8,12-14H,2-5H2,1H3.
What are the key properties of 6,8-dihydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one?
6,8-dihydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one has a molecular weight of 215.25 g/mol, XLogP of -1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydroxy-3-(hydroxymethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one is sourced from PubChem (CID 91574859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).