1,1,2-trihydroxy-6-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydroindolizin-5-one

C10H17NO5 — CID 67341996

IUPAC1,1,2-trihydroxy-6-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydroindolizin-5-one
SMILESO=C1C(CCO)CCC2N1CC(O)C2(O)O
InChIInChI=1S/C10H17NO5/c12-4-3-6-1-2-7-10(15,16)8(13)5-11(7)9(6)14/h6-8,12-13,15-16H,1-5H2
InChIKeyZGHPZHHGEUCSKX-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.97
Rot. Bonds2

About 1,1,2-trihydroxy-6-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydroindolizin-5-one

1,1,2-trihydroxy-6-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydroindolizin-5-one (PubChem CID 67341996) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1,1,2-trihydroxy-6-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydroindolizin-5-one.

Molecular Properties

Compound Name1,1,2-trihydroxy-6-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydroindolizin-5-one
PubChem CID67341996
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name1,1,2-trihydroxy-6-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydroindolizin-5-one
SMILESO=C1C(CCO)CCC2N1CC(O)C2(O)O
InChIInChI=1S/C10H17NO5/c12-4-3-6-1-2-7-10(15,16)8(13)5-11(7)9(6)14/h6-8,12-13,15-16H,1-5H2
InChIKeyZGHPZHHGEUCSKX-UHFFFAOYSA-N
XLogP-1.97
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trihydroxy-6-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydroindolizin-5-one?
The IUPAC name of 1,1,2-trihydroxy-6-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydroindolizin-5-one (CID 67341996) is 1,1,2-trihydroxy-6-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydroindolizin-5-one.
What is the SMILES notation for 1,1,2-trihydroxy-6-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydroindolizin-5-one?
The canonical SMILES for 1,1,2-trihydroxy-6-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydroindolizin-5-one is O=C1C(CCO)CCC2N1CC(O)C2(O)O.
What is the InChIKey of 1,1,2-trihydroxy-6-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydroindolizin-5-one?
The InChIKey is ZGHPZHHGEUCSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c12-4-3-6-1-2-7-10(15,16)8(13)5-11(7)9(6)14/h6-8,12-13,15-16H,1-5H2.
What are the key properties of 1,1,2-trihydroxy-6-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydroindolizin-5-one?
1,1,2-trihydroxy-6-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydroindolizin-5-one has a molecular weight of 231.25 g/mol, XLogP of -1.97, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trihydroxy-6-(2-hydroxyethyl)-2,3,6,7,8,8a-hexahydroindolizin-5-one is sourced from PubChem (CID 67341996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).