3-(hydroxymethyl)-6,7-dihydro-5H-indolizin-8-one

C9H11NO2 — CID 11499272

IUPAC3-(hydroxymethyl)-6,7-dihydro-5H-indolizin-8-one
SMILESO=C1CCCn2c(CO)ccc21
InChIInChI=1S/C9H11NO2/c11-6-7-3-4-8-9(12)2-1-5-10(7)8/h3-4,11H,1-2,5-6H2
InChIKeyKIANCDMZGQMIAL-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.96
Rot. Bonds1

About 3-(hydroxymethyl)-6,7-dihydro-5H-indolizin-8-one

3-(hydroxymethyl)-6,7-dihydro-5H-indolizin-8-one (PubChem CID 11499272) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-(hydroxymethyl)-6,7-dihydro-5H-indolizin-8-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-6,7-dihydro-5H-indolizin-8-one
PubChem CID11499272
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-(hydroxymethyl)-6,7-dihydro-5H-indolizin-8-one
SMILESO=C1CCCn2c(CO)ccc21
InChIInChI=1S/C9H11NO2/c11-6-7-3-4-8-9(12)2-1-5-10(7)8/h3-4,11H,1-2,5-6H2
InChIKeyKIANCDMZGQMIAL-UHFFFAOYSA-N
XLogP0.96
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-6,7-dihydro-5H-indolizin-8-one?
The IUPAC name of 3-(hydroxymethyl)-6,7-dihydro-5H-indolizin-8-one (CID 11499272) is 3-(hydroxymethyl)-6,7-dihydro-5H-indolizin-8-one.
What is the SMILES notation for 3-(hydroxymethyl)-6,7-dihydro-5H-indolizin-8-one?
The canonical SMILES for 3-(hydroxymethyl)-6,7-dihydro-5H-indolizin-8-one is O=C1CCCn2c(CO)ccc21.
What is the InChIKey of 3-(hydroxymethyl)-6,7-dihydro-5H-indolizin-8-one?
The InChIKey is KIANCDMZGQMIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-6-7-3-4-8-9(12)2-1-5-10(7)8/h3-4,11H,1-2,5-6H2.
What are the key properties of 3-(hydroxymethyl)-6,7-dihydro-5H-indolizin-8-one?
3-(hydroxymethyl)-6,7-dihydro-5H-indolizin-8-one has a molecular weight of 165.19 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-6,7-dihydro-5H-indolizin-8-one is sourced from PubChem (CID 11499272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).