ethyl 2-acetamido-5,6-dimethylidene-1,3-dihydroindene-2-carboxylate

C16H19NO3 — CID 101355139

IUPACethyl 2-acetamido-5,6-dimethylidene-1,3-dihydroindene-2-carboxylate
SMILESC=c1cc2c(cc1=C)CC(NC(C)=O)(C(=O)OCC)C2
InChIInChI=1S/C16H19NO3/c1-5-20-15(19)16(17-12(4)18)8-13-6-10(2)11(3)7-14(13)9-16/h6-7H,2-3,5,8-9H2,1,4H3,(H,17,18)
InChIKeyYSOLPMJTXXSJRI-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.04
Rot. Bonds3

About ethyl 2-acetamido-5,6-dimethylidene-1,3-dihydroindene-2-carboxylate

ethyl 2-acetamido-5,6-dimethylidene-1,3-dihydroindene-2-carboxylate (PubChem CID 101355139) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 2-acetamido-5,6-dimethylidene-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-5,6-dimethylidene-1,3-dihydroindene-2-carboxylate
PubChem CID101355139
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameethyl 2-acetamido-5,6-dimethylidene-1,3-dihydroindene-2-carboxylate
SMILESC=c1cc2c(cc1=C)CC(NC(C)=O)(C(=O)OCC)C2
InChIInChI=1S/C16H19NO3/c1-5-20-15(19)16(17-12(4)18)8-13-6-10(2)11(3)7-14(13)9-16/h6-7H,2-3,5,8-9H2,1,4H3,(H,17,18)
InChIKeyYSOLPMJTXXSJRI-UHFFFAOYSA-N
XLogP0.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-acetamido-5,6-dimethylidene-1,3-dihydroindene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-acetamido-5,6-dibromo-1,3-dihydroindene-2-carboxylate
CID 12986070
ethyl 7-acetamido-14,21-dioxopentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1,3,5(9),10,12,15,17,19-octaene-7-carboxylate
CID 101344531
ethyl 5-chloro-2-(prop-2-enoylamino)-1,3-dihydroindene-2-carboxylate
CID 146095225
ethyl 2-acetamido-4-(4-methylphenyl)sulfonyl-1,3-dihydroindene-2-carboxylate
CID 10644744
ethyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dihydroindene-2-carboxylate
CID 68667339
4-O,5-O-diethyl 2-O,7-O-dimethyl (2S,7S)-2,7-diacetamido-1,3,6,8-tetrahydro-as-indacene-2,4,5,7-tetracarboxylate
CID 11005970
ethyl 2-[(2-bromoacetyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylate
CID 68666879
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6-diphenyl-1,3-dihydroindene-2-carboxylate
CID 101176422
ethyl 5-chloro-2-(propylamino)-1,3-dihydroindene-2-carboxylate
CID 113291830
ethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate
CID 59314267
ethyl 2-(2,3-dihydro-1-benzothiophene-5-carbonylamino)-1,3-dihydroindene-2-carboxylate
CID 71044071
diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate
CID 15641549

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-5,6-dimethylidene-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-acetamido-5,6-dimethylidene-1,3-dihydroindene-2-carboxylate (CID 101355139) is ethyl 2-acetamido-5,6-dimethylidene-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-5,6-dimethylidene-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-acetamido-5,6-dimethylidene-1,3-dihydroindene-2-carboxylate is C=c1cc2c(cc1=C)CC(NC(C)=O)(C(=O)OCC)C2.
What is the InChIKey of ethyl 2-acetamido-5,6-dimethylidene-1,3-dihydroindene-2-carboxylate?
The InChIKey is YSOLPMJTXXSJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-5-20-15(19)16(17-12(4)18)8-13-6-10(2)11(3)7-14(13)9-16/h6-7H,2-3,5,8-9H2,1,4H3,(H,17,18).
What are the key properties of ethyl 2-acetamido-5,6-dimethylidene-1,3-dihydroindene-2-carboxylate?
ethyl 2-acetamido-5,6-dimethylidene-1,3-dihydroindene-2-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-5,6-dimethylidene-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 101355139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).