1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione

C15H18N2O3 — CID 82739706

IUPAC1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione
SMILESCC1OCCC1N(C)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C15H18N2O3/c1-9-12(6-7-20-9)16(2)10-4-5-11-13(8-10)17(3)15(19)14(11)18/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyTTWMVYXXOCEJCN-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.46
Rot. Bonds2

About 1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione

1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione (PubChem CID 82739706) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione.

Molecular Properties

Compound Name1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione
PubChem CID82739706
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione
SMILESCC1OCCC1N(C)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C15H18N2O3/c1-9-12(6-7-20-9)16(2)10-4-5-11-13(8-10)17(3)15(19)14(11)18/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyTTWMVYXXOCEJCN-UHFFFAOYSA-N
XLogP1.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.46
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 1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione?
The IUPAC name of 1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione (CID 82739706) is 1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione.
What is the SMILES notation for 1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione?
The canonical SMILES for 1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione is CC1OCCC1N(C)c1ccc2c(c1)N(C)C(=O)C2=O.
What is the InChIKey of 1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione?
The InChIKey is TTWMVYXXOCEJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-12(6-7-20-9)16(2)10-4-5-11-13(8-10)17(3)15(19)14(11)18/h4-5,8-9,12H,6-7H2,1-3H3.
What are the key properties of 1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione?
1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione has a molecular weight of 274.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[methyl-(2-methyloxolan-3-yl)amino]indole-2,3-dione is sourced from PubChem (CID 82739706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).