1-[(dibutylamino)methyl]indole-2,3-dione

C17H24N2O2 — CID 3805394

IUPAC1-[(dibutylamino)methyl]indole-2,3-dione
SMILESCCCCN(CCCC)CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C17H24N2O2/c1-3-5-11-18(12-6-4-2)13-19-15-10-8-7-9-14(15)16(20)17(19)21/h7-10H,3-6,11-13H2,1-2H3
InChIKeyAEXVPFSCODZOIX-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.08
Rot. Bonds8

About 1-[(dibutylamino)methyl]indole-2,3-dione

1-[(dibutylamino)methyl]indole-2,3-dione (PubChem CID 3805394) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(dibutylamino)methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[(dibutylamino)methyl]indole-2,3-dione
PubChem CID3805394
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[(dibutylamino)methyl]indole-2,3-dione
SMILESCCCCN(CCCC)CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C17H24N2O2/c1-3-5-11-18(12-6-4-2)13-19-15-10-8-7-9-14(15)16(20)17(19)21/h7-10H,3-6,11-13H2,1-2H3
InChIKeyAEXVPFSCODZOIX-UHFFFAOYSA-N
XLogP3.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.08
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 1-[(dibutylamino)methyl]indole-2,3-dione?
The IUPAC name of 1-[(dibutylamino)methyl]indole-2,3-dione (CID 3805394) is 1-[(dibutylamino)methyl]indole-2,3-dione.
What is the SMILES notation for 1-[(dibutylamino)methyl]indole-2,3-dione?
The canonical SMILES for 1-[(dibutylamino)methyl]indole-2,3-dione is CCCCN(CCCC)CN1C(=O)C(=O)c2ccccc21.
What is the InChIKey of 1-[(dibutylamino)methyl]indole-2,3-dione?
The InChIKey is AEXVPFSCODZOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-5-11-18(12-6-4-2)13-19-15-10-8-7-9-14(15)16(20)17(19)21/h7-10H,3-6,11-13H2,1-2H3.
What are the key properties of 1-[(dibutylamino)methyl]indole-2,3-dione?
1-[(dibutylamino)methyl]indole-2,3-dione has a molecular weight of 288.39 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dibutylamino)methyl]indole-2,3-dione is sourced from PubChem (CID 3805394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).