2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone

C15H17NO — CID 116546935

IUPAC2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone
SMILESCc1ccc2c(C(=O)CC3CC3)cn(C)c2c1
InChIInChI=1S/C15H17NO/c1-10-3-6-12-13(9-16(2)14(12)7-10)15(17)8-11-4-5-11/h3,6-7,9,11H,4-5,8H2,1-2H3
InChIKeyGQWGKRDJIREPMR-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.47
Rot. Bonds3

About 2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone

2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone (PubChem CID 116546935) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone
PubChem CID116546935
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone
SMILESCc1ccc2c(C(=O)CC3CC3)cn(C)c2c1
InChIInChI=1S/C15H17NO/c1-10-3-6-12-13(9-16(2)14(12)7-10)15(17)8-11-4-5-11/h3,6-7,9,11H,4-5,8H2,1-2H3
InChIKeyGQWGKRDJIREPMR-UHFFFAOYSA-N
XLogP3.47
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone (CID 116546935) is 2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone is Cc1ccc2c(C(=O)CC3CC3)cn(C)c2c1.
What is the InChIKey of 2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone?
The InChIKey is GQWGKRDJIREPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-3-6-12-13(9-16(2)14(12)7-10)15(17)8-11-4-5-11/h3,6-7,9,11H,4-5,8H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone?
2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone has a molecular weight of 227.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone is sourced from PubChem (CID 116546935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).