methyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate

C24H24N2O2 — CID 129348207

IUPACmethyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(C)(C)/C(=C/C=C1/C(C)=Nc3ccccc31)N2C
InChIInChI=1S/C24H24N2O2/c1-15-17(18-8-6-7-9-20(18)25-15)11-13-22-24(2,3)19-14-16(23(27)28-5)10-12-21(19)26(22)4/h6-14H,1-5H3/b17-11-,22-13-
InChIKeyCNANZYWKSUIRCE-POPGJOFXSA-N
MW372.47 g/mol
LogP5.27
Rot. Bonds2

About methyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate

methyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate (PubChem CID 129348207) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is methyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate.

Molecular Properties

Compound Namemethyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate
PubChem CID129348207
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Namemethyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(C)(C)/C(=C/C=C1/C(C)=Nc3ccccc31)N2C
InChIInChI=1S/C24H24N2O2/c1-15-17(18-8-6-7-9-20(18)25-15)11-13-22-24(2,3)19-14-16(23(27)28-5)10-12-21(19)26(22)4/h6-14H,1-5H3/b17-11-,22-13-
InChIKeyCNANZYWKSUIRCE-POPGJOFXSA-N
XLogP5.27
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate with MolForge

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Related Compounds

methyl (2Z)-1,3,3-trimethyl-2-[(2Z)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate
CID 129348206
(2E)-1,3,3-trimethyl-2-[(2Z)-2-(2-methylindol-3-ylidene)ethylidene]indole
CID 14420631
methyl 1,3,3-trimethyl-2-[2-(4-methylphenyl)-2-oxoethylidene]indole-5-carboxylate
CID 5105288
methyl 1,3,3-trimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole-5-carboxylate
CID 3399589
methyl 1,3,3-trimethyl-2-oxoindole-5-carboxylate
CID 52911264
methyl 1,3-dimethyl-3-nitrooxy-2-oxoindole-5-carboxylate
CID 12060505
2,5-dimethyl-4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one
CID 54402595
methyl 4-[[4-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]phenyl]diazenyl]benzoate
CID 4638678
methyl (2Z)-2-[(Z)-3-cyano-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]-1,3,3-trimethylindole-6-carboxylate
CID 135295731
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate
CID 634796
ethyl 2,7-dioxo-8-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]chromene-3-carboxylate
CID 102495805

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate?
The IUPAC name of methyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate (CID 129348207) is methyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate.
What is the SMILES notation for methyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate?
The canonical SMILES for methyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate is COC(=O)c1ccc2c(c1)C(C)(C)/C(=C/C=C1/C(C)=Nc3ccccc31)N2C.
What is the InChIKey of methyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate?
The InChIKey is CNANZYWKSUIRCE-POPGJOFXSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-15-17(18-8-6-7-9-20(18)25-15)11-13-22-24(2,3)19-14-16(23(27)28-5)10-12-21(19)26(22)4/h6-14H,1-5H3/b17-11-,22-13-.
What are the key properties of methyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate?
methyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-1,3,3-trimethyl-2-[(2E)-2-(2-methylindol-3-ylidene)ethylidene]indole-5-carboxylate is sourced from PubChem (CID 129348207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).