8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one

C9H11NO2 — CID 10797118

IUPAC8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one
SMILESC=C1CCN2C(=O)C=CC2(O)C1
InChIInChI=1S/C9H11NO2/c1-7-3-5-10-8(11)2-4-9(10,12)6-7/h2,4,12H,1,3,5-6H2
InChIKeyRDELXCMDCOMMQN-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.42
Rot. Bonds

About 8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one

8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one (PubChem CID 10797118) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one.

Molecular Properties

Compound Name8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one
PubChem CID10797118
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one
SMILESC=C1CCN2C(=O)C=CC2(O)C1
InChIInChI=1S/C9H11NO2/c1-7-3-5-10-8(11)2-4-9(10,12)6-7/h2,4,12H,1,3,5-6H2
InChIKeyRDELXCMDCOMMQN-UHFFFAOYSA-N
XLogP0.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.42
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

7-methylidene-8a-trimethylsilyloxy-6,8-dihydro-5H-indolizin-3-one
CID 10847499
8a-Hydroxy-5,6,7,8-tetrahydroindolizin-3-one
CID 132524813
(8aR)-8a-hydroxy-2-methyl-5,6,7,8-tetrahydroindolizin-3-one
CID 132822149
(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 8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one?
The IUPAC name of 8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one (CID 10797118) is 8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one.
What is the SMILES notation for 8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one?
The canonical SMILES for 8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one is C=C1CCN2C(=O)C=CC2(O)C1.
What is the InChIKey of 8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one?
The InChIKey is RDELXCMDCOMMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7-3-5-10-8(11)2-4-9(10,12)6-7/h2,4,12H,1,3,5-6H2.
What are the key properties of 8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one?
8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one has a molecular weight of 165.19 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hydroxy-7-methylidene-6,8-dihydro-5H-indolizin-3-one is sourced from PubChem (CID 10797118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).