3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one

C13H18N2O — CID 64686330

IUPAC3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C13H18N2O/c1-13(2,14)9-12(16)15-8-7-10-5-3-4-6-11(10)15/h3-6H,7-9,14H2,1-2H3
InChIKeyPAEDIYCSJWTOQK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.70
Rot. Bonds2

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

3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one (PubChem CID 64686330) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
PubChem CID64686330
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C13H18N2O/c1-13(2,14)9-12(16)15-8-7-10-5-3-4-6-11(10)15/h3-6H,7-9,14H2,1-2H3
InChIKeyPAEDIYCSJWTOQK-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.70
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
3-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutan-1-one
CID 11492360
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
4-(2,3-dihydroindol-1-yl)-4-oxo-2,2-diphenylbutanenitrile
CID 2442392
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
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
1-tert-butyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 111097765
3-chloro-1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one
CID 63679943
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 110930545
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one?
The IUPAC name of 3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one (CID 64686330) is 3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one is CC(C)(N)CC(=O)N1CCc2ccccc21.
What is the InChIKey of 3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one?
The InChIKey is PAEDIYCSJWTOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2,14)9-12(16)15-8-7-10-5-3-4-6-11(10)15/h3-6H,7-9,14H2,1-2H3.
What are the key properties of 3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one?
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one has a molecular weight of 218.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 64686330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).