5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one

C15H20N2O — CID 103162728

IUPAC5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(N)CC3CCC3)ccc21
InChIInChI=1S/C15H20N2O/c1-17-14-6-5-11(8-12(14)9-15(17)18)13(16)7-10-3-2-4-10/h5-6,8,10,13H,2-4,7,9,16H2,1H3
InChIKeyDGQMITUSDDDNQD-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.40
Rot. Bonds3

About 5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one

5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one (PubChem CID 103162728) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one
PubChem CID103162728
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(N)CC3CCC3)ccc21
InChIInChI=1S/C15H20N2O/c1-17-14-6-5-11(8-12(14)9-15(17)18)13(16)7-10-3-2-4-10/h5-6,8,10,13H,2-4,7,9,16H2,1H3
InChIKeyDGQMITUSDDDNQD-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one
CID 43119558
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6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105199
5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one
CID 61098748
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one
CID 82301189
5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290174
5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid
CID 43119634
5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one
CID 61088335
3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
CID 116848766
5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116932622
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CID 43119574

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one (CID 103162728) is 5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(N)CC3CCC3)ccc21.
What is the InChIKey of 5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one?
The InChIKey is DGQMITUSDDDNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-14-6-5-11(8-12(14)9-15(17)18)13(16)7-10-3-2-4-10/h5-6,8,10,13H,2-4,7,9,16H2,1H3.
What are the key properties of 5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one?
5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 103162728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).