(7R,8aR)-7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one

C8H11NO2 — CID 130978576

IUPAC(7R,8aR)-7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one
SMILESO=C1C=C[C@H]2C[C@H](O)CCN12
InChIInChI=1S/C8H11NO2/c10-7-3-4-9-6(5-7)1-2-8(9)11/h1-2,6-7,10H,3-5H2/t6-,7+/m0/s1
InChIKeyJBRJTPIOGYWIPD-NKWVEPMBSA-N
MW153.18 g/mol
LogP-0.09
Rot. Bonds

About (7R,8aR)-7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one

(7R,8aR)-7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one (PubChem CID 130978576) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (7R,8aR)-7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one.

Molecular Properties

Compound Name(7R,8aR)-7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one
PubChem CID130978576
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(7R,8aR)-7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one
SMILESO=C1C=C[C@H]2C[C@H](O)CCN12
InChIInChI=1S/C8H11NO2/c10-7-3-4-9-6(5-7)1-2-8(9)11/h1-2,6-7,10H,3-5H2/t6-,7+/m0/s1
InChIKeyJBRJTPIOGYWIPD-NKWVEPMBSA-N
XLogP-0.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxy-2-prop-1-enylpiperidine-1-carboxylic acid
CID 68565971
1-((E)-2-Decenoyl)-4-hydroxypiperidine
CID 89881793
(5S)-3-hydroxy-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylic acid
CID 117941419
(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylic acid
CID 122422919
1-(4-Hydroxypiperidin-1-yl)dec-2-en-1-one
CID 123727721
(E)-5-hydroxy-1-piperidin-1-yloct-2-en-1-one
CID 150453604
5-Hydroxy-1-piperidin-1-yloct-2-en-1-one
CID 175022793
(7R,8aS)-7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one
CID 10103348
(5S,8aR)-5-(hydroxymethyl)-6,7,8,8a-tetrahydro-5H-indolizin-3-one
CID 23655662
7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one
CID 85633394
(8R,8aR)-8-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one
CID 101633972
(E)-1-(4-hydroxy-2-methylpiperidin-1-yl)but-2-en-1-one
CID 131232953

Frequently Asked Questions

What is the IUPAC name of (7R,8aR)-7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The IUPAC name of (7R,8aR)-7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one (CID 130978576) is (7R,8aR)-7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one.
What is the SMILES notation for (7R,8aR)-7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The canonical SMILES for (7R,8aR)-7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one is O=C1C=C[C@H]2C[C@H](O)CCN12.
What is the InChIKey of (7R,8aR)-7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
The InChIKey is JBRJTPIOGYWIPD-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H11NO2/c10-7-3-4-9-6(5-7)1-2-8(9)11/h1-2,6-7,10H,3-5H2/t6-,7+/m0/s1.
What are the key properties of (7R,8aR)-7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one?
(7R,8aR)-7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one has a molecular weight of 153.18 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aR)-7-hydroxy-6,7,8,8a-tetrahydro-5H-indolizin-3-one is sourced from PubChem (CID 130978576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).