4-amino-1-(2,3-dihydroindol-1-yl)butan-1-one

C12H16N2O — CID 22692179

IUPAC4-amino-1-(2,3-dihydroindol-1-yl)butan-1-one
SMILESNCCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C12H16N2O/c13-8-3-6-12(15)14-9-7-10-4-1-2-5-11(10)14/h1-2,4-5H,3,6-9,13H2
InChIKeyWZIKBIPTIKSIIJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.31
Rot. Bonds3

About 4-amino-1-(2,3-dihydroindol-1-yl)butan-1-one

4-amino-1-(2,3-dihydroindol-1-yl)butan-1-one (PubChem CID 22692179) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-amino-1-(2,3-dihydroindol-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(2,3-dihydroindol-1-yl)butan-1-one
PubChem CID22692179
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-amino-1-(2,3-dihydroindol-1-yl)butan-1-one
SMILESNCCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C12H16N2O/c13-8-3-6-12(15)14-9-7-10-4-1-2-5-11(10)14/h1-2,4-5H,3,6-9,13H2
InChIKeyWZIKBIPTIKSIIJ-UHFFFAOYSA-N
XLogP1.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
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N-Methyloxindole
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1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
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N-Ethyloxindole
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3-(4-Aminophenyl)-1-(1-pyrrolidinyl)-1-propanone
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5-fluoro-1,3-dihydro-2H-indol-2-one
CID 3731012
3-Methyloxindole
CID 150923

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,3-dihydroindol-1-yl)butan-1-one?
The IUPAC name of 4-amino-1-(2,3-dihydroindol-1-yl)butan-1-one (CID 22692179) is 4-amino-1-(2,3-dihydroindol-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(2,3-dihydroindol-1-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(2,3-dihydroindol-1-yl)butan-1-one is NCCCC(=O)N1CCc2ccccc21.
What is the InChIKey of 4-amino-1-(2,3-dihydroindol-1-yl)butan-1-one?
The InChIKey is WZIKBIPTIKSIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-8-3-6-12(15)14-9-7-10-4-1-2-5-11(10)14/h1-2,4-5H,3,6-9,13H2.
What are the key properties of 4-amino-1-(2,3-dihydroindol-1-yl)butan-1-one?
4-amino-1-(2,3-dihydroindol-1-yl)butan-1-one has a molecular weight of 204.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,3-dihydroindol-1-yl)butan-1-one is sourced from PubChem (CID 22692179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).