7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one

C16H17NO2 — CID 54691169

IUPAC7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one
SMILESCC1(C)Cc2cc(O)c(-c3ccccc3)c(=O)n2C1
InChIInChI=1S/C16H17NO2/c1-16(2)9-12-8-13(18)14(15(19)17(12)10-16)11-6-4-3-5-7-11/h3-8,18H,9-10H2,1-2H3
InChIKeyOPXWOAHXOWOACA-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.80
Rot. Bonds1

About 7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one

7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one (PubChem CID 54691169) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one.

Molecular Properties

Compound Name7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one
PubChem CID54691169
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one
SMILESCC1(C)Cc2cc(O)c(-c3ccccc3)c(=O)n2C1
InChIInChI=1S/C16H17NO2/c1-16(2)9-12-8-13(18)14(15(19)17(12)10-16)11-6-4-3-5-7-11/h3-8,18H,9-10H2,1-2H3
InChIKeyOPXWOAHXOWOACA-UHFFFAOYSA-N
XLogP2.80
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-6-methyl-1-(2-phenylethyl)pyridin-2(1H)-one
CID 54694339
3-benzyl-1-cyclooctyl-4-hydroxy-2(1H)-pyridinone
CID 54687586
1-benzyl-3-butyl-4-hydroxy-6-phenyl-2(1H)-pyridinone
CID 54693709
4-Hydroxy-6-isobutyl-1-methyl-3-phenyl-pyridin-2-one
CID 76280929
4-hydroxy-6-isopentyl-3-phenyl-1H-pyridin-2-one
CID 90221152
3-benzyl-4-hydroxy-1-phenethyl-2(1H)-pyridinone
CID 54694043
7-hydroxy-1-methyl-4a-phenyl-4,5-dihydro-3H-quinolin-2-one
CID 226658
1-butyl-3-(4-fluorobenzyl)-4-hydroxy-2(1H)-pyridinone
CID 54687292
6-(dimethylaminomethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one
CID 127039131
4-Hydroxy-6-isobutyl-1-isopropyl-3-phenyl-pyridin-2-one
CID 127040788
1-Benzyl-4-hydroxy-6-isobutyl-3-phenyl-pyridin-2-one
CID 127040789
1-Benzyl-4-hydroxy-6-methyl-3-phenyl-pyridin-2-one
CID 54713545

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one?
The IUPAC name of 7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one (CID 54691169) is 7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one.
What is the SMILES notation for 7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one?
The canonical SMILES for 7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one is CC1(C)Cc2cc(O)c(-c3ccccc3)c(=O)n2C1.
What is the InChIKey of 7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one?
The InChIKey is OPXWOAHXOWOACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-16(2)9-12-8-13(18)14(15(19)17(12)10-16)11-6-4-3-5-7-11/h3-8,18H,9-10H2,1-2H3.
What are the key properties of 7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one?
7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one has a molecular weight of 255.32 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one is sourced from PubChem (CID 54691169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).