6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione

C14H18N2O3 — CID 81309567

IUPAC6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione
SMILESCN(CC(C)(C)O)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C14H18N2O3/c1-14(2,19)8-15(3)9-5-6-10-11(7-9)16(4)13(18)12(10)17/h5-7,19H,8H2,1-4H3
InChIKeySLSGQHIKQHPQRU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.05
Rot. Bonds3

About 6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione

6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione (PubChem CID 81309567) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione
PubChem CID81309567
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione
SMILESCN(CC(C)(C)O)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C14H18N2O3/c1-14(2,19)8-15(3)9-5-6-10-11(7-9)16(4)13(18)12(10)17/h5-7,19H,8H2,1-4H3
InChIKeySLSGQHIKQHPQRU-UHFFFAOYSA-N
XLogP1.05
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
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-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione?
The IUPAC name of 6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione (CID 81309567) is 6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione.
What is the SMILES notation for 6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione?
The canonical SMILES for 6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione is CN(CC(C)(C)O)c1ccc2c(c1)N(C)C(=O)C2=O.
What is the InChIKey of 6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione?
The InChIKey is SLSGQHIKQHPQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,19)8-15(3)9-5-6-10-11(7-9)16(4)13(18)12(10)17/h5-7,19H,8H2,1-4H3.
What are the key properties of 6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione?
6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione has a molecular weight of 262.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-2-methylpropyl)-methylamino]-1-methylindole-2,3-dione is sourced from PubChem (CID 81309567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).