(8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one

C9H13NO2 — CID 132822149

IUPAC(8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one
SMILESCC1=C[C@]2(O)CCCCN2C1=O
InChIInChI=1S/C9H13NO2/c1-7-6-9(12)4-2-3-5-10(9)8(7)11/h6,12H,2-5H2,1H3/t9-/m1/s1
InChIKeyNYDGNZIAUHXFBP-SECBINFHSA-N
MW167.21 g/mol
LogP0.65
Rot. Bonds

About (8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one

(8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one (PubChem CID 132822149) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one.

Molecular Properties

Compound Name(8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one
PubChem CID132822149
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one
SMILESCC1=C[C@]2(O)CCCCN2C1=O
InChIInChI=1S/C9H13NO2/c1-7-6-9(12)4-2-3-5-10(9)8(7)11/h6,12H,2-5H2,1H3/t9-/m1/s1
InChIKeyNYDGNZIAUHXFBP-SECBINFHSA-N
XLogP0.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Butyl-2-ethyl-3-hydroxy-4,5-dihydroisoindol-1-one
CID 168157840
3-Butyl-3-hydroxy-2-propyl-4,5-dihydroisoindol-1-one
CID 175418763
8a-Methoxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one
CID 138980111
8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one
CID 10797118
1-Butyl-3-ethyl-5-hydroxy-5-pentylpyrrol-2-one
CID 101422133
8a-Hydroxy-5,6,7,8-tetrahydroindolizin-3-one
CID 132524813
(8R,8aS)-8,8a-dihydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one
CID 132822150
(7R,8aR)-7,8a-dihydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one
CID 132822151

Frequently Asked Questions

What is the IUPAC name of (8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one?
The IUPAC name of (8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one (CID 132822149) is (8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one.
What is the SMILES notation for (8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one?
The canonical SMILES for (8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one is CC1=C[C@]2(O)CCCCN2C1=O.
What is the InChIKey of (8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one?
The InChIKey is NYDGNZIAUHXFBP-SECBINFHSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-6-9(12)4-2-3-5-10(9)8(7)11/h6,12H,2-5H2,1H3/t9-/m1/s1.
What are the key properties of (8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one?
(8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one has a molecular weight of 167.21 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one is sourced from PubChem (CID 132822149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).