7-ethyl-1-[2-(methylamino)ethyl]indole-2,3-dione

C13H16N2O2 — CID 84626926

IUPAC7-ethyl-1-[2-(methylamino)ethyl]indole-2,3-dione
SMILESCCc1cccc2c1N(CCNC)C(=O)C2=O
InChIInChI=1S/C13H16N2O2/c1-3-9-5-4-6-10-11(9)15(8-7-14-2)13(17)12(10)16/h4-6,14H,3,7-8H2,1-2H3
InChIKeyLQTGTEVLFCQCBP-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.00
Rot. Bonds4

About 7-ethyl-1-[2-(methylamino)ethyl]indole-2,3-dione

7-ethyl-1-[2-(methylamino)ethyl]indole-2,3-dione (PubChem CID 84626926) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 7-ethyl-1-[2-(methylamino)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name7-ethyl-1-[2-(methylamino)ethyl]indole-2,3-dione
PubChem CID84626926
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name7-ethyl-1-[2-(methylamino)ethyl]indole-2,3-dione
SMILESCCc1cccc2c1N(CCNC)C(=O)C2=O
InChIInChI=1S/C13H16N2O2/c1-3-9-5-4-6-10-11(9)15(8-7-14-2)13(17)12(10)16/h4-6,14H,3,7-8H2,1-2H3
InChIKeyLQTGTEVLFCQCBP-UHFFFAOYSA-N
XLogP1.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione
CID 61387766
1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione
CID 61387891
5-bromo-7-methyl-1-[2-(methylamino)ethyl]indole-2,3-dione
CID 61388457
3-(2,3-dioxo-7-propylindol-1-yl)propanoic acid
CID 84638541
1-[2-(tert-butylamino)ethyl]-7-methylindole-2,3-dione
CID 61387866
1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione
CID 61387911
4-bromo-2-[2-(methylamino)ethyl]isoindole-1,3-dione
CID 117031725
7-bromo-1-pentylindole-2,3-dione
CID 61356330
7-chloro-1-(4-methylpentyl)indole-2,3-dione
CID 83157456
1-nonyl-7-phenylindole-2,3-dione
CID 508422
1-(2-methoxyethyl)-7-methylindole-2,3-dione
CID 61146079
1-(3-aminopropyl)-7-methylindole-2,3-dione
CID 84622799

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-[2-(methylamino)ethyl]indole-2,3-dione?
The IUPAC name of 7-ethyl-1-[2-(methylamino)ethyl]indole-2,3-dione (CID 84626926) is 7-ethyl-1-[2-(methylamino)ethyl]indole-2,3-dione.
What is the SMILES notation for 7-ethyl-1-[2-(methylamino)ethyl]indole-2,3-dione?
The canonical SMILES for 7-ethyl-1-[2-(methylamino)ethyl]indole-2,3-dione is CCc1cccc2c1N(CCNC)C(=O)C2=O.
What is the InChIKey of 7-ethyl-1-[2-(methylamino)ethyl]indole-2,3-dione?
The InChIKey is LQTGTEVLFCQCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-9-5-4-6-10-11(9)15(8-7-14-2)13(17)12(10)16/h4-6,14H,3,7-8H2,1-2H3.
What are the key properties of 7-ethyl-1-[2-(methylamino)ethyl]indole-2,3-dione?
7-ethyl-1-[2-(methylamino)ethyl]indole-2,3-dione has a molecular weight of 232.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-[2-(methylamino)ethyl]indole-2,3-dione is sourced from PubChem (CID 84626926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).