2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone

C13H14N2O — CID 76849912

IUPAC2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone
SMILESO=C(CNC1CC1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H14N2O/c16-13(8-15-11-2-3-11)10-1-4-12-9(7-10)5-6-14-12/h1,4-7,11,14-15H,2-3,8H2
InChIKeyYMYLHEGGAGFTBU-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.10
Rot. Bonds4

About 2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone

2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone (PubChem CID 76849912) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone
PubChem CID76849912
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone
SMILESO=C(CNC1CC1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H14N2O/c16-13(8-15-11-2-3-11)10-1-4-12-9(7-10)5-6-14-12/h1,4-7,11,14-15H,2-3,8H2
InChIKeyYMYLHEGGAGFTBU-UHFFFAOYSA-N
XLogP2.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1H-indole-5-carboxamide
CID 63719157
1-(1H-indol-5-yl)-4-methylpentan-1-one
CID 10976846
1-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)ethanone
CID 82114127
N-methyl-N-[4-(methylamino)cyclohexyl]-1H-indole-5-carboxamide
CID 79117939
N-pyrrolidin-3-yl-1H-indole-5-carboxamide
CID 63747913
N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide
CID 55257824
N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
1-(1H-indol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
CID 90363615
N-(1-cyclohexylpropyl)-1H-indole-5-carboxamide
CID 63718650
2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid
CID 121494840
N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide
CID 103839267

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone (CID 76849912) is 2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone is O=C(CNC1CC1)c1ccc2[nH]ccc2c1.
What is the InChIKey of 2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone?
The InChIKey is YMYLHEGGAGFTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-13(8-15-11-2-3-11)10-1-4-12-9(7-10)5-6-14-12/h1,4-7,11,14-15H,2-3,8H2.
What are the key properties of 2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone?
2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone has a molecular weight of 214.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(1H-indol-5-yl)ethanone is sourced from PubChem (CID 76849912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).