7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one

C16H24N2O — CID 82190724

IUPAC7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one
SMILESCc1cc2c(c(CCCCN)c1C)NC(=O)C2(C)C
InChIInChI=1S/C16H24N2O/c1-10-9-13-14(18-15(19)16(13,3)4)12(11(10)2)7-5-6-8-17/h9H,5-8,17H2,1-4H3,(H,18,19)
InChIKeyAUMYXRWQVICKQO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.81
Rot. Bonds4

About 7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one

7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one (PubChem CID 82190724) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one.

Molecular Properties

Compound Name7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one
PubChem CID82190724
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one
SMILESCc1cc2c(c(CCCCN)c1C)NC(=O)C2(C)C
InChIInChI=1S/C16H24N2O/c1-10-9-13-14(18-15(19)16(13,3)4)12(11(10)2)7-5-6-8-17/h9H,5-8,17H2,1-4H3,(H,18,19)
InChIKeyAUMYXRWQVICKQO-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one?
The IUPAC name of 7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one (CID 82190724) is 7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one.
What is the SMILES notation for 7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one?
The canonical SMILES for 7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one is Cc1cc2c(c(CCCCN)c1C)NC(=O)C2(C)C.
What is the InChIKey of 7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one?
The InChIKey is AUMYXRWQVICKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-10-9-13-14(18-15(19)16(13,3)4)12(11(10)2)7-5-6-8-17/h9H,5-8,17H2,1-4H3,(H,18,19).
What are the key properties of 7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one?
7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one is sourced from PubChem (CID 82190724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).