1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione

C16H19NO2 — CID 61355078

IUPAC1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione
SMILESCc1ccc2c(c1C)N(CC1CCCC1)C(=O)C2=O
InChIInChI=1S/C16H19NO2/c1-10-7-8-13-14(11(10)2)17(16(19)15(13)18)9-12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3
InChIKeyJBDZANMVEGLAMC-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.02
Rot. Bonds2

About 1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione

1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione (PubChem CID 61355078) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione
PubChem CID61355078
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione
SMILESCc1ccc2c(c1C)N(CC1CCCC1)C(=O)C2=O
InChIInChI=1S/C16H19NO2/c1-10-7-8-13-14(11(10)2)17(16(19)15(13)18)9-12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3
InChIKeyJBDZANMVEGLAMC-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione?
The IUPAC name of 1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione (CID 61355078) is 1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione.
What is the SMILES notation for 1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione?
The canonical SMILES for 1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione is Cc1ccc2c(c1C)N(CC1CCCC1)C(=O)C2=O.
What is the InChIKey of 1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione?
The InChIKey is JBDZANMVEGLAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10-7-8-13-14(11(10)2)17(16(19)15(13)18)9-12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3.
What are the key properties of 1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione?
1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione has a molecular weight of 257.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-6,7-dimethylindole-2,3-dione is sourced from PubChem (CID 61355078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).