1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione

C15H20N2O2 — CID 61387641

IUPAC1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2CCNC(C)(C)C
InChIInChI=1S/C15H20N2O2/c1-10-5-6-12-11(9-10)13(18)14(19)17(12)8-7-16-15(2,3)4/h5-6,9,16H,7-8H2,1-4H3
InChIKeyVSGZATPGUDZHBN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.91
Rot. Bonds3

About 1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione

1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione (PubChem CID 61387641) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione.

Molecular Properties

Compound Name1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione
PubChem CID61387641
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2CCNC(C)(C)C
InChIInChI=1S/C15H20N2O2/c1-10-5-6-12-11(9-10)13(18)14(19)17(12)8-7-16-15(2,3)4/h5-6,9,16H,7-8H2,1-4H3
InChIKeyVSGZATPGUDZHBN-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione?
The IUPAC name of 1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione (CID 61387641) is 1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione.
What is the SMILES notation for 1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione?
The canonical SMILES for 1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione is Cc1ccc2c(c1)C(=O)C(=O)N2CCNC(C)(C)C.
What is the InChIKey of 1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione?
The InChIKey is VSGZATPGUDZHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-5-6-12-11(9-10)13(18)14(19)17(12)8-7-16-15(2,3)4/h5-6,9,16H,7-8H2,1-4H3.
What are the key properties of 1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione?
1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione has a molecular weight of 260.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione is sourced from PubChem (CID 61387641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).