bis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one

C81H100FN9O7 — CID 158576702

IUPACbis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCC(C)N1C(=O)Cc2ccccc21.CC(C)N1C(=O)Cc2cccnc21.CC(C)N1C(=O)Cc2ncccc21.Cc1ccc2c(c1)N(C(C)C)C(=O)C2.Cc1ccc2c(c1C)N(C(C)C)C(=O)C2.Cc1ccc2c(c1C)N(C(C)C)C(=O)C2.Cc1ccc2c(c1F)N(C(C)C)C(=O)C2
InChIInChI=1S/2C13H17NO.C12H14FNO.C12H15NO.C11H13NO.2C10H12N2O/c2*1-8(2)14-12(15)7-11-6-5-9(3)10(4)13(11)14;1-7(2)14-10(15)6-9-5-4-8(3)11(13)12(9)14;1-8(2)13-11-6-9(3)4-5-10(11)7-12(13)14;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-7(2)12-9-4-3-5-11-8(9)6-10(12)13;1-7(2)12-9(13)6-8-4-3-5-11-10(8)12/h2*5-6,8H,7H2,1-4H3;4-5,7H,6H2,1-3H3;4-6,8H,7H2,1-3H3;3-6,8H,7H2,1-2H3;2*3-5,7H,6H2,1-2H3
InChIKeyHSTBESAFRLFWSV-UHFFFAOYSA-N
MW1330.74 g/mol
LogP14.67
Rot. Bonds7

About bis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one

bis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 158576702) has the molecular formula C81H100FN9O7 and a molecular weight of 1330.74 g/mol. Its IUPAC name is bis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Namebis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID158576702
Molecular FormulaC81H100FN9O7
Molecular Weight1330.74 g/mol
Exact Mass1329.77
IUPAC Namebis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCC(C)N1C(=O)Cc2ccccc21.CC(C)N1C(=O)Cc2cccnc21.CC(C)N1C(=O)Cc2ncccc21.Cc1ccc2c(c1)N(C(C)C)C(=O)C2.Cc1ccc2c(c1C)N(C(C)C)C(=O)C2.Cc1ccc2c(c1C)N(C(C)C)C(=O)C2.Cc1ccc2c(c1F)N(C(C)C)C(=O)C2
InChIInChI=1S/2C13H17NO.C12H14FNO.C12H15NO.C11H13NO.2C10H12N2O/c2*1-8(2)14-12(15)7-11-6-5-9(3)10(4)13(11)14;1-7(2)14-10(15)6-9-5-4-8(3)11(13)12(9)14;1-8(2)13-11-6-9(3)4-5-10(11)7-12(13)14;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-7(2)12-9-4-3-5-11-8(9)6-10(12)13;1-7(2)12-9(13)6-8-4-3-5-11-10(8)12/h2*5-6,8H,7H2,1-4H3;4-5,7H,6H2,1-3H3;4-6,8H,7H2,1-3H3;3-6,8H,7H2,1-2H3;2*3-5,7H,6H2,1-2H3
InChIKeyHSTBESAFRLFWSV-UHFFFAOYSA-N
XLogP14.67
TPSA167.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001330.74
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze bis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of bis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one (CID 158576702) is bis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for bis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for bis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one is CC(C)N1C(=O)Cc2ccccc21.CC(C)N1C(=O)Cc2cccnc21.CC(C)N1C(=O)Cc2ncccc21.Cc1ccc2c(c1)N(C(C)C)C(=O)C2.Cc1ccc2c(c1C)N(C(C)C)C(=O)C2.Cc1ccc2c(c1C)N(C(C)C)C(=O)C2.Cc1ccc2c(c1F)N(C(C)C)C(=O)C2.
What is the InChIKey of bis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is HSTBESAFRLFWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H17NO.C12H14FNO.C12H15NO.C11H13NO.2C10H12N2O/c2*1-8(2)14-12(15)7-11-6-5-9(3)10(4)13(11)14;1-7(2)14-10(15)6-9-5-4-8(3)11(13)12(9)14;1-8(2)13-11-6-9(3)4-5-10(11)7-12(13)14;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-7(2)12-9-4-3-5-11-8(9)6-10(12)13;1-7(2)12-9(13)6-8-4-3-5-11-10(8)12/h2*5-6,8H,7H2,1-4H3;4-5,7H,6H2,1-3H3;4-6,8H,7H2,1-3H3;3-6,8H,7H2,1-2H3;2*3-5,7H,6H2,1-2H3.
What are the key properties of bis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one?
bis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 1330.74 g/mol, XLogP of 14.67, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 158576702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).