(8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one

C8H11NO2 — CID 57385438

IUPAC(8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one
SMILESO=C1CC[C@@H]2[C@H](O)C=CCN12
InChIInChI=1S/C8H11NO2/c10-7-2-1-5-9-6(7)3-4-8(9)11/h1-2,6-7,10H,3-5H2/t6-,7-/m1/s1
InChIKeyUBKCRQGYLOQTGQ-RNFRBKRXSA-N
MW153.18 g/mol
LogP-0.09
Rot. Bonds

About (8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one

(8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one (PubChem CID 57385438) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one
PubChem CID57385438
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one
SMILESO=C1CC[C@@H]2[C@H](O)C=CCN12
InChIInChI=1S/C8H11NO2/c10-7-2-1-5-9-6(7)3-4-8(9)11/h1-2,6-7,10H,3-5H2/t6-,7-/m1/s1
InChIKeyUBKCRQGYLOQTGQ-RNFRBKRXSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(8S,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one
CID 101577498
(5R)-5-[(1R)-1-hydroxy-2-methylbut-2-enyl]-1-prop-2-enylpyrrolidin-2-one
CID 135041770
(8S,8aS)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one
CID 10606954
(5R)-1-(2-hydroxyethyl)-5-[(E,3S)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
CID 11265317
1-Cyclohex-2-en-1-yl-5-(hydroxymethyl)pyrrolidin-2-one
CID 14443719
(5S)-5-(1-hydroxybut-3-enyl)-1-prop-2-enylpyrrolidin-2-one
CID 59052757
(9aS)-9-hydroxy-1,2,5,8,9,9a-hexahydropyrrolo[1,2-a]azepin-3-one
CID 59052758

Frequently Asked Questions

What is the IUPAC name of (8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one?
The IUPAC name of (8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one (CID 57385438) is (8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one.
What is the SMILES notation for (8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one?
The canonical SMILES for (8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one is O=C1CC[C@@H]2[C@H](O)C=CCN12.
What is the InChIKey of (8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one?
The InChIKey is UBKCRQGYLOQTGQ-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H11NO2/c10-7-2-1-5-9-6(7)3-4-8(9)11/h1-2,6-7,10H,3-5H2/t6-,7-/m1/s1.
What are the key properties of (8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one?
(8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-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 (8R,8aR)-8-hydroxy-2,5,8,8a-tetrahydro-1H-indolizin-3-one is sourced from PubChem (CID 57385438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).