8-ethyl-3,6,7-trimethyl-2-phenyl-1H-indolizin-5-one

C19H21NO — CID 22086858

IUPAC8-ethyl-3,6,7-trimethyl-2-phenyl-1H-indolizin-5-one
SMILESCCc1c(C)c(C)c(=O)n2c1CC(c1ccccc1)=C2C
InChIInChI=1S/C19H21NO/c1-5-16-12(2)13(3)19(21)20-14(4)17(11-18(16)20)15-9-7-6-8-10-15/h6-10H,5,11H2,1-4H3
InChIKeyTUPKJZWSLYQBOF-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.97
Rot. Bonds2

About 8-ethyl-3,6,7-trimethyl-2-phenyl-1H-indolizin-5-one

8-ethyl-3,6,7-trimethyl-2-phenyl-1H-indolizin-5-one (PubChem CID 22086858) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 8-ethyl-3,6,7-trimethyl-2-phenyl-1H-indolizin-5-one.

Molecular Properties

Compound Name8-ethyl-3,6,7-trimethyl-2-phenyl-1H-indolizin-5-one
PubChem CID22086858
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name8-ethyl-3,6,7-trimethyl-2-phenyl-1H-indolizin-5-one
SMILESCCc1c(C)c(C)c(=O)n2c1CC(c1ccccc1)=C2C
InChIInChI=1S/C19H21NO/c1-5-16-12(2)13(3)19(21)20-14(4)17(11-18(16)20)15-9-7-6-8-10-15/h6-10H,5,11H2,1-4H3
InChIKeyTUPKJZWSLYQBOF-UHFFFAOYSA-N
XLogP3.97
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene
CID 140985823
2-ethyl-3,4,5-trimethyl-6-phenylbenzenethiol
CID 140644848
3-methyl-4-phenylcyclopent-3-en-1-one
CID 58657939
5-methyl-4-phenyl-1,3-dihydropyrrol-2-one
CID 11469349
(2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667466
5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one
CID 54686582
5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one
CID 1037172
3-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one
CID 54705803
2,3-diethyl-1,4-diphenylbenzene
CID 59383229
1,2-diethyl-3,4,5,6-tetraphenylbenzene
CID 58012801
3,5-diethyl-2,6-diphenylpyran-4-one
CID 59161433
3-phenyl-4-propyl-2H-furan-5-one
CID 118283591

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,6,7-trimethyl-2-phenyl-1H-indolizin-5-one?
The IUPAC name of 8-ethyl-3,6,7-trimethyl-2-phenyl-1H-indolizin-5-one (CID 22086858) is 8-ethyl-3,6,7-trimethyl-2-phenyl-1H-indolizin-5-one.
What is the SMILES notation for 8-ethyl-3,6,7-trimethyl-2-phenyl-1H-indolizin-5-one?
The canonical SMILES for 8-ethyl-3,6,7-trimethyl-2-phenyl-1H-indolizin-5-one is CCc1c(C)c(C)c(=O)n2c1CC(c1ccccc1)=C2C.
What is the InChIKey of 8-ethyl-3,6,7-trimethyl-2-phenyl-1H-indolizin-5-one?
The InChIKey is TUPKJZWSLYQBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-5-16-12(2)13(3)19(21)20-14(4)17(11-18(16)20)15-9-7-6-8-10-15/h6-10H,5,11H2,1-4H3.
What are the key properties of 8-ethyl-3,6,7-trimethyl-2-phenyl-1H-indolizin-5-one?
8-ethyl-3,6,7-trimethyl-2-phenyl-1H-indolizin-5-one has a molecular weight of 279.38 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,6,7-trimethyl-2-phenyl-1H-indolizin-5-one is sourced from PubChem (CID 22086858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).