2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone

C13H16N2O — CID 60648595

IUPAC2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CNC1CC1)N1CCc2ccccc21
InChIInChI=1S/C13H16N2O/c16-13(9-14-11-5-6-11)15-8-7-10-3-1-2-4-12(10)15/h1-4,11,14H,5-9H2
InChIKeyRYFBHCWKVOSPRW-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.33
Rot. Bonds3

About 2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone

2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 60648595) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID60648595
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CNC1CC1)N1CCc2ccccc21
InChIInChI=1S/C13H16N2O/c16-13(9-14-11-5-6-11)15-8-7-10-3-1-2-4-12(10)15/h1-4,11,14H,5-9H2
InChIKeyRYFBHCWKVOSPRW-UHFFFAOYSA-N
XLogP1.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide
CID 78862673
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 42069057
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea
CID 46383527
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide
CID 110606116
1-(2,3-dihydroindol-1-yl)-2-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 171326862
1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone
CID 108999656

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone (CID 60648595) is 2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CNC1CC1)N1CCc2ccccc21.
What is the InChIKey of 2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is RYFBHCWKVOSPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13(9-14-11-5-6-11)15-8-7-10-3-1-2-4-12(10)15/h1-4,11,14H,5-9H2.
What are the key properties of 2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 216.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 60648595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).