5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate

C78H76N6O6 — CID 157266905

IUPAC5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate
SMILESCC1=Cc2ccc(C(=O)O)cc2C1.COC(=O)c1ccc2[nH]c(C)cc2c1.Cc1cc2cc(C(=O)O)ccc2[nH]1.Cc1cc2ccccc2[nH]1.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)C=NC2.Cc1ccc2c(c1)N=CC2.Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C11H11NO2.C11H10O2.C10H9NO2.C10H10.4C9H9N/c1-7-5-9-6-8(11(13)14-2)3-4-10(9)12-7;1-7-4-8-2-3-9(11(12)13)6-10(8)5-7;1-6-4-8-5-7(10(12)13)2-3-9(8)11-6;1-8-5-6-9-3-2-4-10(9)7-8;1-7-2-3-8-5-10-6-9(8)4-7;2*1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-8-4-2-3-5-9(8)10-7/h3-6,12H,1-2H3;2-4,6H,5H2,1H3,(H,12,13);2-5,11H,1H3,(H,12,13);2,4-7H,3H2,1H3;2-4,6H,5H2,1H3;2-3,5-6H,4H2,1H3;2*2-6,10H,1H3
InChIKeyAYCFFRIXKMPEGW-UHFFFAOYSA-N
MW1193.50 g/mol
LogP18.48
Rot. Bonds3

About 5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate

5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate (PubChem CID 157266905) has the molecular formula C78H76N6O6 and a molecular weight of 1193.50 g/mol. Its IUPAC name is 5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Name5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate
PubChem CID157266905
Molecular FormulaC78H76N6O6
Molecular Weight1193.50 g/mol
Exact Mass1192.58
IUPAC Name5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate
SMILESCC1=Cc2ccc(C(=O)O)cc2C1.COC(=O)c1ccc2[nH]c(C)cc2c1.Cc1cc2cc(C(=O)O)ccc2[nH]1.Cc1cc2ccccc2[nH]1.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)C=NC2.Cc1ccc2c(c1)N=CC2.Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C11H11NO2.C11H10O2.C10H9NO2.C10H10.4C9H9N/c1-7-5-9-6-8(11(13)14-2)3-4-10(9)12-7;1-7-4-8-2-3-9(11(12)13)6-10(8)5-7;1-6-4-8-5-7(10(12)13)2-3-9(8)11-6;1-8-5-6-9-3-2-4-10(9)7-8;1-7-2-3-8-5-10-6-9(8)4-7;2*1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-8-4-2-3-5-9(8)10-7/h3-6,12H,1-2H3;2-4,6H,5H2,1H3,(H,12,13);2-5,11H,1H3,(H,12,13);2,4-7H,3H2,1H3;2-4,6H,5H2,1H3;2-3,5-6H,4H2,1H3;2*2-6,10H,1H3
InChIKeyAYCFFRIXKMPEGW-UHFFFAOYSA-N
XLogP18.48
TPSA188.78 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001193.50
LogP ≤ 518.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-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 1,10-dihydropyrrolo[2,3-a]carbazole-4-carboxylate
CID 70687077
methyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate
CID 70687381
3-((6-(1-((3-Methoxycarbonylphenyl)methyl)indol-6-yl)indol-1-yl)methyl)benzoic acid
CID 90682142
3-[[6-[1-[(3-Ethoxycarbonylphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682143
3-[[5-[1-[(3-Carboxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682145
3-[[6-[3-[(3-methoxyphenyl)methyl]-1H-indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682158
3-[[6-(1H-indol-6-yl)-1H-indol-3-yl]methyl]benzoic acid
CID 90682164
3-[[6-[1-[[3-[(2-Methylpropan-2-yl)oxycarbonyl]phenyl]methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 145998741
CID 145998742
CID 145998742
3-[[6-[1-[(3-Fluoro-5-methoxycarbonylphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 145998971
3-[[6-[1-[(3-Acetamidophenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 145998992
CID 146000258
CID 146000258

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate?
The IUPAC name of 5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate (CID 157266905) is 5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate.
What is the SMILES notation for 5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate?
The canonical SMILES for 5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate is CC1=Cc2ccc(C(=O)O)cc2C1.COC(=O)c1ccc2[nH]c(C)cc2c1.Cc1cc2cc(C(=O)O)ccc2[nH]1.Cc1cc2ccccc2[nH]1.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)C=NC2.Cc1ccc2c(c1)N=CC2.Cc1ccc2cc[nH]c2c1.
What is the InChIKey of 5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate?
The InChIKey is AYCFFRIXKMPEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C11H10O2.C10H9NO2.C10H10.4C9H9N/c1-7-5-9-6-8(11(13)14-2)3-4-10(9)12-7;1-7-4-8-2-3-9(11(12)13)6-10(8)5-7;1-6-4-8-5-7(10(12)13)2-3-9(8)11-6;1-8-5-6-9-3-2-4-10(9)7-8;1-7-2-3-8-5-10-6-9(8)4-7;2*1-7-2-3-8-4-5-10-9(8)6-7;1-7-6-8-4-2-3-5-9(8)10-7/h3-6,12H,1-2H3;2-4,6H,5H2,1H3,(H,12,13);2-5,11H,1H3,(H,12,13);2,4-7H,3H2,1H3;2-4,6H,5H2,1H3;2-3,5-6H,4H2,1H3;2*2-6,10H,1H3.
What are the key properties of 5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate?
5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate has a molecular weight of 1193.50 g/mol, XLogP of 18.48, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate is sourced from PubChem (CID 157266905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).