dimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate

C26H19NO5 — CID 12523204

IUPACdimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2ccc3c(n2c1C(=O)c1ccccc1)-c1ccccc1C3
InChIInChI=1S/C26H19NO5/c1-31-25(29)20-19-13-12-17-14-16-10-6-7-11-18(16)22(17)27(19)23(21(20)26(30)32-2)24(28)15-8-4-3-5-9-15/h3-13H,14H2,1-2H3
InChIKeyPLAVWSGOLLEHFU-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.31
Rot. Bonds4

About dimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate

dimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate (PubChem CID 12523204) has the molecular formula C26H19NO5 and a molecular weight of 425.44 g/mol. Its IUPAC name is dimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate
PubChem CID12523204
Molecular FormulaC26H19NO5
Molecular Weight425.44 g/mol
Exact Mass425.13
IUPAC Namedimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate
SMILESCOC(=O)c1c(C(=O)OC)c2ccc3c(n2c1C(=O)c1ccccc1)-c1ccccc1C3
InChIInChI=1S/C26H19NO5/c1-31-25(29)20-19-13-12-17-14-16-10-6-7-11-18(16)22(17)27(19)23(21(20)26(30)32-2)24(28)15-8-4-3-5-9-15/h3-13H,14H2,1-2H3
InChIKeyPLAVWSGOLLEHFU-UHFFFAOYSA-N
XLogP4.31
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
CID 44612996
dimethyl 3-(4-bromobenzoyl)-10-oxo-2,15-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaene-4,5-dicarboxylate
CID 11203166
dimethyl 3-(naphthalene-2-carbonyl)naphtho[2,1-e]indolizine-1,2-dicarboxylate
CID 3699630
dimethyl 2,5-dibenzoyl-1-cyclohexylpyrrole-3,4-dicarboxylate
CID 10504659
dimethyl 7-benzoyl-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CID 11451009
1-O,2-O-dimethyl 7-O-propan-2-yl 3-benzoylindolizine-1,2,7-tricarboxylate
CID 170341547
dimethyl 2-benzoyl-1-benzyl-5-phenylpyrrole-3,4-dicarboxylate
CID 102386187
9H-fluorene;methyl acetate
CID 143080534
dimethyl 9,10-dihydroanthracene-1,2-dicarboxylate
CID 102522835
methyl 3-benzoyl-1-(trifluoromethyl)pyrrolo[1,2-a]quinoline-2-carboxylate
CID 132539065
dimethyl 1-(4-fluorobenzoyl)-5-methylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
CID 983216
dimethyl 4-bromo-1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-2,3-dicarboxylate
CID 170941533

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate?
The IUPAC name of dimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate (CID 12523204) is dimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate is COC(=O)c1c(C(=O)OC)c2ccc3c(n2c1C(=O)c1ccccc1)-c1ccccc1C3.
What is the InChIKey of dimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate?
The InChIKey is PLAVWSGOLLEHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO5/c1-31-25(29)20-19-13-12-17-14-16-10-6-7-11-18(16)22(17)27(19)23(21(20)26(30)32-2)24(28)15-8-4-3-5-9-15/h3-13H,14H2,1-2H3.
What are the key properties of dimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate?
dimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate has a molecular weight of 425.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-benzoyl-6H-indeno[1,2-e]indolizine-2,3-dicarboxylate is sourced from PubChem (CID 12523204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).