2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone

C17H22N2O — CID 96678992

IUPAC2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone
SMILESCCc1ccc2c(c1)c(C(=O)CNC1CC1)c(C)n2C
InChIInChI=1S/C17H22N2O/c1-4-12-5-8-15-14(9-12)17(11(2)19(15)3)16(20)10-18-13-6-7-13/h5,8-9,13,18H,4,6-7,10H2,1-3H3
InChIKeySFQLSMGJSYJWNF-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.98
Rot. Bonds5

About 2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone

2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone (PubChem CID 96678992) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone
PubChem CID96678992
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone
SMILESCCc1ccc2c(c1)c(C(=O)CNC1CC1)c(C)n2C
InChIInChI=1S/C17H22N2O/c1-4-12-5-8-15-14(9-12)17(11(2)19(15)3)16(20)10-18-13-6-7-13/h5,8-9,13,18H,4,6-7,10H2,1-3H3
InChIKeySFQLSMGJSYJWNF-UHFFFAOYSA-N
XLogP2.98
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone (CID 96678992) is 2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone is CCc1ccc2c(c1)c(C(=O)CNC1CC1)c(C)n2C.
What is the InChIKey of 2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone?
The InChIKey is SFQLSMGJSYJWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-12-5-8-15-14(9-12)17(11(2)19(15)3)16(20)10-18-13-6-7-13/h5,8-9,13,18H,4,6-7,10H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone?
2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone has a molecular weight of 270.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone is sourced from PubChem (CID 96678992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).