1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione

C17H19NO3 — CID 104751336

IUPAC1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione
SMILESCc1ccc(C)c2c1C(=O)C(=O)N2CC(=O)C1CCCC1
InChIInChI=1S/C17H19NO3/c1-10-7-8-11(2)15-14(10)16(20)17(21)18(15)9-13(19)12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3
InChIKeyHTFUYPZNKRHSJC-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.59
Rot. Bonds3

About 1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione

1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione (PubChem CID 104751336) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione.

Molecular Properties

Compound Name1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione
PubChem CID104751336
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione
SMILESCc1ccc(C)c2c1C(=O)C(=O)N2CC(=O)C1CCCC1
InChIInChI=1S/C17H19NO3/c1-10-7-8-11(2)15-14(10)16(20)17(21)18(15)9-13(19)12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3
InChIKeyHTFUYPZNKRHSJC-UHFFFAOYSA-N
XLogP2.59
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methylisatin
CID 16358
1-hexadecyl-1H-indole-2,3-dione
CID 3772674
1-Dodecylindoline-2,3-dione
CID 1897797
5,6-dimethyl-2,3-dihydro-1H-indole-2,3-dione
CID 52550
1-Allylisatin
CID 1713563
1-(propan-2-yl)-2,3-dihydro-1H-indole-2,3-dione
CID 2055049
4,7-dimethyl-2,3-dihydro-1H-indole-2,3-dione
CID 3264931
5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CID 2786143
1-Pentyl-1H-indole-2,3-dione
CID 1581092
1,7-dimethyl-1H-indole-2,3-dione
CID 4730265
1-ethyl-5-methyl-2,3-dihydro-1H-indole-2,3-dione
CID 2471305
1-Acetyl-1,2-dihydro-3H-indol-3-one
CID 538819

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione?
The IUPAC name of 1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione (CID 104751336) is 1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione.
What is the SMILES notation for 1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione?
The canonical SMILES for 1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione is Cc1ccc(C)c2c1C(=O)C(=O)N2CC(=O)C1CCCC1.
What is the InChIKey of 1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione?
The InChIKey is HTFUYPZNKRHSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-10-7-8-11(2)15-14(10)16(20)17(21)18(15)9-13(19)12-5-3-4-6-12/h7-8,12H,3-6,9H2,1-2H3.
What are the key properties of 1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione?
1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione has a molecular weight of 285.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione is sourced from PubChem (CID 104751336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).