methyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

C19H17NO3 — CID 11174273

IUPACmethyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC(c1cc3ccccc3n1C)O2
InChIInChI=1S/C19H17NO3/c1-20-15-6-4-3-5-12(15)10-16(20)18-11-14-9-13(19(21)22-2)7-8-17(14)23-18/h3-10,18H,11H2,1-2H3
InChIKeyIHLSENKNIALDAA-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.64
Rot. Bonds2

About methyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate

methyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate (PubChem CID 11174273) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate
PubChem CID11174273
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Namemethyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC(c1cc3ccccc3n1C)O2
InChIInChI=1S/C19H17NO3/c1-20-15-6-4-3-5-12(15)10-16(20)18-11-14-9-13(19(21)22-2)7-8-17(14)23-18/h3-10,18H,11H2,1-2H3
InChIKeyIHLSENKNIALDAA-UHFFFAOYSA-N
XLogP3.64
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-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

methyl 2-(2-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxylate
CID 11359551
methyl 2-octyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 139693266
(2R,3R)-2-(difluoromethyl)-6-methoxycarbonyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 165488195
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
methyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762872
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 46090259
methyl 2-[[(4-methoxy-4-oxobutanoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 46085670
methyl (2S)-2-[(3-methylsulfanylpropanoylamino)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 92756609
methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 46089367
dimethyl (3R,4R,5S)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate
CID 10830397
dimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate
CID 10782792

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate?
The IUPAC name of methyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate (CID 11174273) is methyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate.
What is the SMILES notation for methyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate?
The canonical SMILES for methyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate is COC(=O)c1ccc2c(c1)CC(c1cc3ccccc3n1C)O2.
What is the InChIKey of methyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate?
The InChIKey is IHLSENKNIALDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-20-15-6-4-3-5-12(15)10-16(20)18-11-14-9-13(19(21)22-2)7-8-17(14)23-18/h3-10,18H,11H2,1-2H3.
What are the key properties of methyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate?
methyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate is sourced from PubChem (CID 11174273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).