1-[1-[2-(hydroxymethyl)phenyl]indolizin-3-yl]ethanone

C17H15NO2 — CID 127026579

IUPAC1-[1-[2-(hydroxymethyl)phenyl]indolizin-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccccc2CO)c2ccccn12
InChIInChI=1S/C17H15NO2/c1-12(20)17-10-15(16-8-4-5-9-18(16)17)14-7-3-2-6-13(14)11-19/h2-10,19H,11H2,1H3
InChIKeyILGINCARRNUCRR-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.30
Rot. Bonds3

About 1-[1-[2-(hydroxymethyl)phenyl]indolizin-3-yl]ethanone

1-[1-[2-(hydroxymethyl)phenyl]indolizin-3-yl]ethanone (PubChem CID 127026579) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[1-[2-(hydroxymethyl)phenyl]indolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(hydroxymethyl)phenyl]indolizin-3-yl]ethanone
PubChem CID127026579
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-[1-[2-(hydroxymethyl)phenyl]indolizin-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccccc2CO)c2ccccn12
InChIInChI=1S/C17H15NO2/c1-12(20)17-10-15(16-8-4-5-9-18(16)17)14-7-3-2-6-13(14)11-19/h2-10,19H,11H2,1H3
InChIKeyILGINCARRNUCRR-UHFFFAOYSA-N
XLogP3.30
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-{1-[2-(Hydroxymethyl)phenyl]-7-Phenoxyindolizin-3-Yl}ethanone
CID 70680608
1-(2-Oxo-2-p-tolyl-ethyl)-1H-indole-2-carboxylic acid
CID 6489279
N-{[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylidene}hydroxylamine
CID 6904896
9-Ethyl-1-oxo-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid
CID 768661
1-(2-methoxyethyl)-1H-indole-4-carboxylic acid
CID 43316527
1-Methyl-1H-Indole-4-Carboxylic Acid
CID 14987287
4-(2-Formyl-1H-pyrrol-1-yl)benzoic acid
CID 1090391
1-Cyclohexyl-2-phenylindolizine-6-carboxylic acid
CID 16072892
3-[4-(1-Butyl-1H-indol-3-yl)-piperidin-1-ylmethyl]-benzoic acid
CID 44392599
1-[1-[2-(Hydroxymethyl)phenyl]-7-methylindolizin-3-yl]ethanone
CID 127026583
1-[1-[2-(Hydroxymethyl)phenyl]-7-methoxyindolizin-3-yl]ethanone
CID 127026588
1-[1-[2-(Hydroxymethyl)phenyl]-7-morpholin-4-ylindolizin-3-yl]ethanone
CID 127026589

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(hydroxymethyl)phenyl]indolizin-3-yl]ethanone?
The IUPAC name of 1-[1-[2-(hydroxymethyl)phenyl]indolizin-3-yl]ethanone (CID 127026579) is 1-[1-[2-(hydroxymethyl)phenyl]indolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(hydroxymethyl)phenyl]indolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-(hydroxymethyl)phenyl]indolizin-3-yl]ethanone is CC(=O)c1cc(-c2ccccc2CO)c2ccccn12.
What is the InChIKey of 1-[1-[2-(hydroxymethyl)phenyl]indolizin-3-yl]ethanone?
The InChIKey is ILGINCARRNUCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12(20)17-10-15(16-8-4-5-9-18(16)17)14-7-3-2-6-13(14)11-19/h2-10,19H,11H2,1H3.
What are the key properties of 1-[1-[2-(hydroxymethyl)phenyl]indolizin-3-yl]ethanone?
1-[1-[2-(hydroxymethyl)phenyl]indolizin-3-yl]ethanone has a molecular weight of 265.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(hydroxymethyl)phenyl]indolizin-3-yl]ethanone is sourced from PubChem (CID 127026579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).