6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione

C17H23NO3 — CID 61484634

IUPAC6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione
SMILESCc1ccc2c(c1C)N(CCOCCC(C)C)C(=O)C2=O
InChIInChI=1S/C17H23NO3/c1-11(2)7-9-21-10-8-18-15-13(4)12(3)5-6-14(15)16(19)17(18)20/h5-6,11H,7-10H2,1-4H3
InChIKeyMEJVBLQLOFLQLH-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.90
Rot. Bonds6

About 6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione

6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione (PubChem CID 61484634) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione
PubChem CID61484634
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione
SMILESCc1ccc2c(c1C)N(CCOCCC(C)C)C(=O)C2=O
InChIInChI=1S/C17H23NO3/c1-11(2)7-9-21-10-8-18-15-13(4)12(3)5-6-14(15)16(19)17(18)20/h5-6,11H,7-10H2,1-4H3
InChIKeyMEJVBLQLOFLQLH-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione?
The IUPAC name of 6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione (CID 61484634) is 6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione.
What is the SMILES notation for 6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione?
The canonical SMILES for 6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione is Cc1ccc2c(c1C)N(CCOCCC(C)C)C(=O)C2=O.
What is the InChIKey of 6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione?
The InChIKey is MEJVBLQLOFLQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11(2)7-9-21-10-8-18-15-13(4)12(3)5-6-14(15)16(19)17(18)20/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione?
6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione has a molecular weight of 289.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-[2-(3-methylbutoxy)ethyl]indole-2,3-dione is sourced from PubChem (CID 61484634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).