ethane;8-ethyl-9-methyl-2,3-dimethylidene-5H-pyrido[2,3-a]indolizin-7-one

C18H22N2O — CID 171092267

IUPACethane;8-ethyl-9-methyl-2,3-dimethylidene-5H-pyrido[2,3-a]indolizin-7-one
SMILESC=c1cc2c(nc1=C)-c1cc(C)c(CC)c(=O)n1C2.CC
InChIInChI=1S/C16H16N2O.C2H6/c1-5-13-10(3)7-14-15-12(8-18(14)16(13)19)6-9(2)11(4)17-15;1-2/h6-7H,2,4-5,8H2,1,3H3;1-2H3
InChIKeyNQDFYNNHXRCILQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.99
Rot. Bonds1

About ethane;8-ethyl-9-methyl-2,3-dimethylidene-5H-pyrido[2,3-a]indolizin-7-one

ethane;8-ethyl-9-methyl-2,3-dimethylidene-5H-pyrido[2,3-a]indolizin-7-one (PubChem CID 171092267) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is ethane;8-ethyl-9-methyl-2,3-dimethylidene-5H-pyrido[2,3-a]indolizin-7-one.

Molecular Properties

Compound Nameethane;8-ethyl-9-methyl-2,3-dimethylidene-5H-pyrido[2,3-a]indolizin-7-one
PubChem CID171092267
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Nameethane;8-ethyl-9-methyl-2,3-dimethylidene-5H-pyrido[2,3-a]indolizin-7-one
SMILESC=c1cc2c(nc1=C)-c1cc(C)c(CC)c(=O)n1C2.CC
InChIInChI=1S/C16H16N2O.C2H6/c1-5-13-10(3)7-14-15-12(8-18(14)16(13)19)6-9(2)11(4)17-15;1-2/h6-7H,2,4-5,8H2,1,3H3;1-2H3
InChIKeyNQDFYNNHXRCILQ-UHFFFAOYSA-N
XLogP1.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;8-ethyl-9-methyl-2,3-dimethylidene-5H-pyrido[2,3-a]indolizin-7-one?
The IUPAC name of ethane;8-ethyl-9-methyl-2,3-dimethylidene-5H-pyrido[2,3-a]indolizin-7-one (CID 171092267) is ethane;8-ethyl-9-methyl-2,3-dimethylidene-5H-pyrido[2,3-a]indolizin-7-one.
What is the SMILES notation for ethane;8-ethyl-9-methyl-2,3-dimethylidene-5H-pyrido[2,3-a]indolizin-7-one?
The canonical SMILES for ethane;8-ethyl-9-methyl-2,3-dimethylidene-5H-pyrido[2,3-a]indolizin-7-one is C=c1cc2c(nc1=C)-c1cc(C)c(CC)c(=O)n1C2.CC.
What is the InChIKey of ethane;8-ethyl-9-methyl-2,3-dimethylidene-5H-pyrido[2,3-a]indolizin-7-one?
The InChIKey is NQDFYNNHXRCILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O.C2H6/c1-5-13-10(3)7-14-15-12(8-18(14)16(13)19)6-9(2)11(4)17-15;1-2/h6-7H,2,4-5,8H2,1,3H3;1-2H3.
What are the key properties of ethane;8-ethyl-9-methyl-2,3-dimethylidene-5H-pyrido[2,3-a]indolizin-7-one?
ethane;8-ethyl-9-methyl-2,3-dimethylidene-5H-pyrido[2,3-a]indolizin-7-one has a molecular weight of 282.39 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-ethyl-9-methyl-2,3-dimethylidene-5H-pyrido[2,3-a]indolizin-7-one is sourced from PubChem (CID 171092267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).