(1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one

C11H19NO2 — CID 130756852

IUPAC(1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one
SMILESCC1(C)CC(=O)N2CC[C@H](CO)[C@@H]2C1
InChIInChI=1S/C11H19NO2/c1-11(2)5-9-8(7-13)3-4-12(9)10(14)6-11/h8-9,13H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyJVWBPJVALRPWRV-BDAKNGLRSA-N
MW197.28 g/mol
LogP1.02
Rot. Bonds1

About (1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one

(1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one (PubChem CID 130756852) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one.

Molecular Properties

Compound Name(1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one
PubChem CID130756852
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one
SMILESCC1(C)CC(=O)N2CC[C@H](CO)[C@@H]2C1
InChIInChI=1S/C11H19NO2/c1-11(2)5-9-8(7-13)3-4-12(9)10(14)6-11/h8-9,13H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyJVWBPJVALRPWRV-BDAKNGLRSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one?
The IUPAC name of (1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one (CID 130756852) is (1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one.
What is the SMILES notation for (1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one?
The canonical SMILES for (1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one is CC1(C)CC(=O)N2CC[C@H](CO)[C@@H]2C1.
What is the InChIKey of (1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one?
The InChIKey is JVWBPJVALRPWRV-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2)5-9-8(7-13)3-4-12(9)10(14)6-11/h8-9,13H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one?
(1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one has a molecular weight of 197.28 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8aS)-1-(hydroxymethyl)-7,7-dimethyl-1,2,3,6,8,8a-hexahydroindolizin-5-one is sourced from PubChem (CID 130756852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).