6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione

C16H20N2O2 — CID 43586415

IUPAC6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione
SMILESCCN(c1ccc2c(c1)NC(=O)C2=O)C1CCCCC1
InChIInChI=1S/C16H20N2O2/c1-2-18(11-6-4-3-5-7-11)12-8-9-13-14(10-12)17-16(20)15(13)19/h8-11H,2-7H2,1H3,(H,17,19,20)
InChIKeyMLVGDZWPPCWJHG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.98
Rot. Bonds3

About 6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione

6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione (PubChem CID 43586415) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione
PubChem CID43586415
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione
SMILESCCN(c1ccc2c(c1)NC(=O)C2=O)C1CCCCC1
InChIInChI=1S/C16H20N2O2/c1-2-18(11-6-4-3-5-7-11)12-8-9-13-14(10-12)17-16(20)15(13)19/h8-11H,2-7H2,1H3,(H,17,19,20)
InChIKeyMLVGDZWPPCWJHG-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.98
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 6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione?
The IUPAC name of 6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione (CID 43586415) is 6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione.
What is the SMILES notation for 6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione?
The canonical SMILES for 6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione is CCN(c1ccc2c(c1)NC(=O)C2=O)C1CCCCC1.
What is the InChIKey of 6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione?
The InChIKey is MLVGDZWPPCWJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-18(11-6-4-3-5-7-11)12-8-9-13-14(10-12)17-16(20)15(13)19/h8-11H,2-7H2,1H3,(H,17,19,20).
What are the key properties of 6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione?
6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione has a molecular weight of 272.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione is sourced from PubChem (CID 43586415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).