(3R,8aR)-3-(hydroxymethyl)-7,7-dimethyl-8a-(2-methylpropyl)-1,2,3,6-tetrahydroindolizine-5,8-dione

C15H25NO3 — CID 10989245

IUPAC(3R,8aR)-3-(hydroxymethyl)-7,7-dimethyl-8a-(2-methylpropyl)-1,2,3,6-tetrahydroindolizine-5,8-dione
SMILESCC(C)C[C@@]12CC[C@H](CO)N1C(=O)CC(C)(C)C2=O
InChIInChI=1S/C15H25NO3/c1-10(2)7-15-6-5-11(9-17)16(15)12(18)8-14(3,4)13(15)19/h10-11,17H,5-9H2,1-4H3/t11-,15-/m1/s1
InChIKeyQANONKNAFXACDW-IAQYHMDHSA-N
MW267.37 g/mol
LogP1.75
Rot. Bonds3

About (3R,8aR)-3-(hydroxymethyl)-7,7-dimethyl-8a-(2-methylpropyl)-1,2,3,6-tetrahydroindolizine-5,8-dione

(3R,8aR)-3-(hydroxymethyl)-7,7-dimethyl-8a-(2-methylpropyl)-1,2,3,6-tetrahydroindolizine-5,8-dione (PubChem CID 10989245) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (3R,8aR)-3-(hydroxymethyl)-7,7-dimethyl-8a-(2-methylpropyl)-1,2,3,6-tetrahydroindolizine-5,8-dione.

Molecular Properties

Compound Name(3R,8aR)-3-(hydroxymethyl)-7,7-dimethyl-8a-(2-methylpropyl)-1,2,3,6-tetrahydroindolizine-5,8-dione
PubChem CID10989245
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(3R,8aR)-3-(hydroxymethyl)-7,7-dimethyl-8a-(2-methylpropyl)-1,2,3,6-tetrahydroindolizine-5,8-dione
SMILESCC(C)C[C@@]12CC[C@H](CO)N1C(=O)CC(C)(C)C2=O
InChIInChI=1S/C15H25NO3/c1-10(2)7-15-6-5-11(9-17)16(15)12(18)8-14(3,4)13(15)19/h10-11,17H,5-9H2,1-4H3/t11-,15-/m1/s1
InChIKeyQANONKNAFXACDW-IAQYHMDHSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,8aR)-3-(hydroxymethyl)-7,7-dimethyl-8a-(2-methylpropyl)-1,2,3,6-tetrahydroindolizine-5,8-dione?
The IUPAC name of (3R,8aR)-3-(hydroxymethyl)-7,7-dimethyl-8a-(2-methylpropyl)-1,2,3,6-tetrahydroindolizine-5,8-dione (CID 10989245) is (3R,8aR)-3-(hydroxymethyl)-7,7-dimethyl-8a-(2-methylpropyl)-1,2,3,6-tetrahydroindolizine-5,8-dione.
What is the SMILES notation for (3R,8aR)-3-(hydroxymethyl)-7,7-dimethyl-8a-(2-methylpropyl)-1,2,3,6-tetrahydroindolizine-5,8-dione?
The canonical SMILES for (3R,8aR)-3-(hydroxymethyl)-7,7-dimethyl-8a-(2-methylpropyl)-1,2,3,6-tetrahydroindolizine-5,8-dione is CC(C)C[C@@]12CC[C@H](CO)N1C(=O)CC(C)(C)C2=O.
What is the InChIKey of (3R,8aR)-3-(hydroxymethyl)-7,7-dimethyl-8a-(2-methylpropyl)-1,2,3,6-tetrahydroindolizine-5,8-dione?
The InChIKey is QANONKNAFXACDW-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(2)7-15-6-5-11(9-17)16(15)12(18)8-14(3,4)13(15)19/h10-11,17H,5-9H2,1-4H3/t11-,15-/m1/s1.
What are the key properties of (3R,8aR)-3-(hydroxymethyl)-7,7-dimethyl-8a-(2-methylpropyl)-1,2,3,6-tetrahydroindolizine-5,8-dione?
(3R,8aR)-3-(hydroxymethyl)-7,7-dimethyl-8a-(2-methylpropyl)-1,2,3,6-tetrahydroindolizine-5,8-dione has a molecular weight of 267.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8aR)-3-(hydroxymethyl)-7,7-dimethyl-8a-(2-methylpropyl)-1,2,3,6-tetrahydroindolizine-5,8-dione is sourced from PubChem (CID 10989245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).