6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione

C15H18N2O2 — CID 81309495

IUPAC6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione
SMILESCN(CC1CCC1)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C15H18N2O2/c1-16(9-10-4-3-5-10)11-6-7-12-13(8-11)17(2)15(19)14(12)18/h6-8,10H,3-5,9H2,1-2H3
InChIKeyPROWTOVPSMOMEU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.08
Rot. Bonds3

About 6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione

6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione (PubChem CID 81309495) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione.

Molecular Properties

Compound Name6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione
PubChem CID81309495
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione
SMILESCN(CC1CCC1)c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C15H18N2O2/c1-16(9-10-4-3-5-10)11-6-7-12-13(8-11)17(2)15(19)14(12)18/h6-8,10H,3-5,9H2,1-2H3
InChIKeyPROWTOVPSMOMEU-UHFFFAOYSA-N
XLogP2.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
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-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione?
The IUPAC name of 6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione (CID 81309495) is 6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione.
What is the SMILES notation for 6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione?
The canonical SMILES for 6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione is CN(CC1CCC1)c1ccc2c(c1)N(C)C(=O)C2=O.
What is the InChIKey of 6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione?
The InChIKey is PROWTOVPSMOMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-16(9-10-4-3-5-10)11-6-7-12-13(8-11)17(2)15(19)14(12)18/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of 6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione?
6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione has a molecular weight of 258.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclobutylmethyl(methyl)amino]-1-methylindole-2,3-dione is sourced from PubChem (CID 81309495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).