6-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione

C16H16N2O3 — CID 81302020

IUPAC6-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione
SMILESCCN(Cc1ccco1)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C16H16N2O3/c1-3-18(10-12-5-4-8-21-12)11-6-7-13-14(9-11)17(2)16(20)15(13)19/h4-9H,3,10H2,1-2H3
InChIKeyZSUPLZBLUAOPIZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.47
Rot. Bonds4

About 6-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione

6-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione (PubChem CID 81302020) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 6-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione
PubChem CID81302020
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name6-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione
SMILESCCN(Cc1ccco1)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C16H16N2O3/c1-3-18(10-12-5-4-8-21-12)11-6-7-13-14(9-11)17(2)16(20)15(13)19/h4-9H,3,10H2,1-2H3
InChIKeyZSUPLZBLUAOPIZ-UHFFFAOYSA-N
XLogP2.47
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione?
The IUPAC name of 6-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione (CID 81302020) is 6-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione.
What is the SMILES notation for 6-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione?
The canonical SMILES for 6-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione is CCN(Cc1ccco1)c1ccc2c(c1)N(C)C(=O)C2=O.
What is the InChIKey of 6-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione?
The InChIKey is ZSUPLZBLUAOPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-18(10-12-5-4-8-21-12)11-6-7-13-14(9-11)17(2)16(20)15(13)19/h4-9H,3,10H2,1-2H3.
What are the key properties of 6-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione?
6-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione has a molecular weight of 284.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(furan-2-ylmethyl)amino]-1-methylindole-2,3-dione is sourced from PubChem (CID 81302020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).