1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one

C14H20N2O — CID 114455603

IUPAC1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCc2cccc(N)c21
InChIInChI=1S/C14H20N2O/c1-14(2,3)9-12(17)16-8-7-10-5-4-6-11(15)13(10)16/h4-6H,7-9,15H2,1-3H3
InChIKeyRZOXBAZWSZBQGC-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.59
Rot. Bonds1

About 1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one

1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 114455603) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one
PubChem CID114455603
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCc2cccc(N)c21
InChIInChI=1S/C14H20N2O/c1-14(2,3)9-12(17)16-8-7-10-5-4-6-11(15)13(10)16/h4-6H,7-9,15H2,1-3H3
InChIKeyRZOXBAZWSZBQGC-UHFFFAOYSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one (CID 114455603) is 1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCc2cccc(N)c21.
What is the InChIKey of 1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is RZOXBAZWSZBQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,3)9-12(17)16-8-7-10-5-4-6-11(15)13(10)16/h4-6H,7-9,15H2,1-3H3.
What are the key properties of 1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one?
1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 232.33 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 114455603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).