(5R,6R)-6-hydroxy-3,5-dimethyl-6,7-dihydro-5H-indolizin-8-one

C10H13NO2 — CID 170990524

IUPAC(5R,6R)-6-hydroxy-3,5-dimethyl-6,7-dihydro-5H-indolizin-8-one
SMILESCc1ccc2n1[C@H](C)[C@H](O)CC2=O
InChIInChI=1S/C10H13NO2/c1-6-3-4-8-10(13)5-9(12)7(2)11(6)8/h3-4,7,9,12H,5H2,1-2H3/t7-,9-/m1/s1
InChIKeyJPMVQRXQOWORBJ-VXNVDRBHSA-N
MW179.22 g/mol
LogP1.30
Rot. Bonds

About (5R,6R)-6-hydroxy-3,5-dimethyl-6,7-dihydro-5H-indolizin-8-one

(5R,6R)-6-hydroxy-3,5-dimethyl-6,7-dihydro-5H-indolizin-8-one (PubChem CID 170990524) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (5R,6R)-6-hydroxy-3,5-dimethyl-6,7-dihydro-5H-indolizin-8-one.

Molecular Properties

Compound Name(5R,6R)-6-hydroxy-3,5-dimethyl-6,7-dihydro-5H-indolizin-8-one
PubChem CID170990524
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(5R,6R)-6-hydroxy-3,5-dimethyl-6,7-dihydro-5H-indolizin-8-one
SMILESCc1ccc2n1[C@H](C)[C@H](O)CC2=O
InChIInChI=1S/C10H13NO2/c1-6-3-4-8-10(13)5-9(12)7(2)11(6)8/h3-4,7,9,12H,5H2,1-2H3/t7-,9-/m1/s1
InChIKeyJPMVQRXQOWORBJ-VXNVDRBHSA-N
XLogP1.30
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-Oxo-5,6,7,8-tetrahydroindolizine-5-carboxylic acid
CID 55269906
5-(3-hydroxypropionyl)-2,3-dihydro-1H-pyrrolizine
CID 6428976
3-(hydroxymethyl)-6,7-dihydroindolizin-8(5H)-one
CID 11499272
3-Indolizinecarboxaldehyde, 5,6,7,8-tetrahydro-8-oxo-
CID 11542831
3-(3-hydroxy-3-methylbut-1-ynyl)-6,7-dihydro-5H-indolizin-8-one
CID 44817473
3-Hydroxy-1-pyridin-2-yloctan-1-one
CID 102583789
3-pent-1-ynyl-6,7-dihydro-5H-indolizin-8-one
CID 135039494
bis((5R,6S)-6-hydroxy-3,5-dimethyl-6,7-dihydro-5H-indolizin-8-one);hydrate
CID 139048452
3-butyl-5-propyl-6,7-dihydro-5H-indolizin-8-one
CID 16109759
1-[6-Acetyl-1-(2-hydroxyethyl)pyridin-1-ium-2-yl]ethanone
CID 58330708
1-[6-Acetyl-1-(2-hydroxyethyl)pyridin-1-ium-2-yl]ethanone chloride
CID 67131126
1-[6-Acetyl-1-(2-hydroxyethyl)pyridin-1-ium-2-yl]ethanone bromide
CID 67132320

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-hydroxy-3,5-dimethyl-6,7-dihydro-5H-indolizin-8-one?
The IUPAC name of (5R,6R)-6-hydroxy-3,5-dimethyl-6,7-dihydro-5H-indolizin-8-one (CID 170990524) is (5R,6R)-6-hydroxy-3,5-dimethyl-6,7-dihydro-5H-indolizin-8-one.
What is the SMILES notation for (5R,6R)-6-hydroxy-3,5-dimethyl-6,7-dihydro-5H-indolizin-8-one?
The canonical SMILES for (5R,6R)-6-hydroxy-3,5-dimethyl-6,7-dihydro-5H-indolizin-8-one is Cc1ccc2n1[C@H](C)[C@H](O)CC2=O.
What is the InChIKey of (5R,6R)-6-hydroxy-3,5-dimethyl-6,7-dihydro-5H-indolizin-8-one?
The InChIKey is JPMVQRXQOWORBJ-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6-3-4-8-10(13)5-9(12)7(2)11(6)8/h3-4,7,9,12H,5H2,1-2H3/t7-,9-/m1/s1.
What are the key properties of (5R,6R)-6-hydroxy-3,5-dimethyl-6,7-dihydro-5H-indolizin-8-one?
(5R,6R)-6-hydroxy-3,5-dimethyl-6,7-dihydro-5H-indolizin-8-one has a molecular weight of 179.22 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-hydroxy-3,5-dimethyl-6,7-dihydro-5H-indolizin-8-one is sourced from PubChem (CID 170990524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).