2-ethylhexyl (2Z)-2-cyano-2-indeno[2,1-b]pyridin-9-ylideneacetate

C23H24N2O2 — CID 153378187

IUPAC2-ethylhexyl (2Z)-2-cyano-2-indeno[2,1-b]pyridin-9-ylideneacetate
SMILESCCCCC(CC)COC(=O)/C(C#N)=C1/c2ccccc2-c2cccnc21
InChIInChI=1S/C23H24N2O2/c1-3-5-9-16(4-2)15-27-23(26)20(14-24)21-18-11-7-6-10-17(18)19-12-8-13-25-22(19)21/h6-8,10-13,16H,3-5,9,15H2,1-2H3/b21-20-
InChIKeySDPLOMWPCMOIJT-MRCUWXFGSA-N
MW360.46 g/mol
LogP5.15
Rot. Bonds7

About 2-ethylhexyl (2Z)-2-cyano-2-indeno[2,1-b]pyridin-9-ylideneacetate

2-ethylhexyl (2Z)-2-cyano-2-indeno[2,1-b]pyridin-9-ylideneacetate (PubChem CID 153378187) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-ethylhexyl (2Z)-2-cyano-2-indeno[2,1-b]pyridin-9-ylideneacetate.

Molecular Properties

Compound Name2-ethylhexyl (2Z)-2-cyano-2-indeno[2,1-b]pyridin-9-ylideneacetate
PubChem CID153378187
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-ethylhexyl (2Z)-2-cyano-2-indeno[2,1-b]pyridin-9-ylideneacetate
SMILESCCCCC(CC)COC(=O)/C(C#N)=C1/c2ccccc2-c2cccnc21
InChIInChI=1S/C23H24N2O2/c1-3-5-9-16(4-2)15-27-23(26)20(14-24)21-18-11-7-6-10-17(18)19-12-8-13-25-22(19)21/h6-8,10-13,16H,3-5,9,15H2,1-2H3/b21-20-
InChIKeySDPLOMWPCMOIJT-MRCUWXFGSA-N
XLogP5.15
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

benzo[g]quinoline-5,10-dione;2-ethylhexyl 2-cyanoacetate;2-ethylhexyl (2E)-2-cyano-2-(5-oxobenzo[g]quinolin-10-ylidene)acetate
CID 158728601
2-ethylhexyl (2Z)-2-cyano-2-(5-oxobenzo[g]quinazolin-10-ylidene)acetate;2-ethylhexyl (2E)-2-cyano-2-(5-oxobenzo[g]quinolin-10-ylidene)acetate;2-ethylhexyl (2E)-2-cyano-2-(5-oxopyrido[2,3-g]quinolin-10-ylidene)acetate;2-ethylhexyl 2-cyano-2-(5-oxopyrido[3,2-g]quinolin-10-ylidene)acetate;2-ethylhexyl (2E)-2-cyano-2-(5-oxopyrimido[4,5-g]quinazolin-10-ylidene)acetate
CID 158046803
3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one;2-ethylhexyl 2-cyanoacetate;2-ethylhexyl (2Z)-2-cyano-2-(3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)acetate
CID 160968224
2-ethylhexyl (2E)-2-cyano-2-[(5E)-5-[1-cyano-2-(2-ethylhexoxy)-2-oxoethylidene]anthracen-1-ylidene]acetate
CID 153378262
2-ethylhexyl (2Z)-2-cyano-2-(9-oxoanthracen-2-ylidene)acetate
CID 153378255
2-ethylhexyl pyridine-2-carboxylate
CID 46198409
2-ethylhexyl prop-2-enoate;2-phenylbenzonitrile
CID 159865523
2-ethylhexyl 2-cyano-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 66661267
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
2-ethylhexyl (Z)-3-[4-(2-bromoethoxy)phenyl]-2-cyano-3-phenylprop-2-enoate
CID 134497655
[9-(dicyanomethylidene)fluoren-4-yl] 3-ethylheptanoate
CID 87872247
2-ethylhexyl 3-hydroxy-2-oxopropanoate
CID 123564601

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl (2Z)-2-cyano-2-indeno[2,1-b]pyridin-9-ylideneacetate?
The IUPAC name of 2-ethylhexyl (2Z)-2-cyano-2-indeno[2,1-b]pyridin-9-ylideneacetate (CID 153378187) is 2-ethylhexyl (2Z)-2-cyano-2-indeno[2,1-b]pyridin-9-ylideneacetate.
What is the SMILES notation for 2-ethylhexyl (2Z)-2-cyano-2-indeno[2,1-b]pyridin-9-ylideneacetate?
The canonical SMILES for 2-ethylhexyl (2Z)-2-cyano-2-indeno[2,1-b]pyridin-9-ylideneacetate is CCCCC(CC)COC(=O)/C(C#N)=C1/c2ccccc2-c2cccnc21.
What is the InChIKey of 2-ethylhexyl (2Z)-2-cyano-2-indeno[2,1-b]pyridin-9-ylideneacetate?
The InChIKey is SDPLOMWPCMOIJT-MRCUWXFGSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-3-5-9-16(4-2)15-27-23(26)20(14-24)21-18-11-7-6-10-17(18)19-12-8-13-25-22(19)21/h6-8,10-13,16H,3-5,9,15H2,1-2H3/b21-20-.
What are the key properties of 2-ethylhexyl (2Z)-2-cyano-2-indeno[2,1-b]pyridin-9-ylideneacetate?
2-ethylhexyl (2Z)-2-cyano-2-indeno[2,1-b]pyridin-9-ylideneacetate has a molecular weight of 360.46 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl (2Z)-2-cyano-2-indeno[2,1-b]pyridin-9-ylideneacetate is sourced from PubChem (CID 153378187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).