2-(4-methoxyphenyl)-7-methyl-5-oxo-3H-indolizine-6-carbonitrile

C17H14N2O2 — CID 3639153

IUPAC2-(4-methoxyphenyl)-7-methyl-5-oxo-3H-indolizine-6-carbonitrile
SMILESCOc1ccc(C2=Cc3cc(C)c(C#N)c(=O)n3C2)cc1
InChIInChI=1S/C17H14N2O2/c1-11-7-14-8-13(10-19(14)17(20)16(11)9-18)12-3-5-15(21-2)6-4-12/h3-8H,10H2,1-2H3
InChIKeyYUHCXJPUFDOPMZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.59
Rot. Bonds2

About 2-(4-methoxyphenyl)-7-methyl-5-oxo-3H-indolizine-6-carbonitrile

2-(4-methoxyphenyl)-7-methyl-5-oxo-3H-indolizine-6-carbonitrile (PubChem CID 3639153) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-7-methyl-5-oxo-3H-indolizine-6-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-7-methyl-5-oxo-3H-indolizine-6-carbonitrile
PubChem CID3639153
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(4-methoxyphenyl)-7-methyl-5-oxo-3H-indolizine-6-carbonitrile
SMILESCOc1ccc(C2=Cc3cc(C)c(C#N)c(=O)n3C2)cc1
InChIInChI=1S/C17H14N2O2/c1-11-7-14-8-13(10-19(14)17(20)16(11)9-18)12-3-5-15(21-2)6-4-12/h3-8H,10H2,1-2H3
InChIKeyYUHCXJPUFDOPMZ-UHFFFAOYSA-N
XLogP2.59
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-7-methyl-5-oxo-3H-indolizine-6-carbonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-7-methyl-5-oxo-3H-indolizine-6-carbonitrile (CID 3639153) is 2-(4-methoxyphenyl)-7-methyl-5-oxo-3H-indolizine-6-carbonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-7-methyl-5-oxo-3H-indolizine-6-carbonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-7-methyl-5-oxo-3H-indolizine-6-carbonitrile is COc1ccc(C2=Cc3cc(C)c(C#N)c(=O)n3C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-7-methyl-5-oxo-3H-indolizine-6-carbonitrile?
The InChIKey is YUHCXJPUFDOPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-7-14-8-13(10-19(14)17(20)16(11)9-18)12-3-5-15(21-2)6-4-12/h3-8H,10H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-7-methyl-5-oxo-3H-indolizine-6-carbonitrile?
2-(4-methoxyphenyl)-7-methyl-5-oxo-3H-indolizine-6-carbonitrile has a molecular weight of 278.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-7-methyl-5-oxo-3H-indolizine-6-carbonitrile is sourced from PubChem (CID 3639153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).