5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione

C17H16N2O2 — CID 61355626

IUPAC5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2CCc1ccccn1
InChIInChI=1S/C17H16N2O2/c1-2-12-6-7-15-14(11-12)16(20)17(21)19(15)10-8-13-5-3-4-9-18-13/h3-7,9,11H,2,8,10H2,1H3
InChIKeyBHYVSXNESOFFGD-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.42
Rot. Bonds4

About 5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione

5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione (PubChem CID 61355626) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
PubChem CID61355626
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2CCc1ccccn1
InChIInChI=1S/C17H16N2O2/c1-2-12-6-7-15-14(11-12)16(20)17(21)19(15)10-8-13-5-3-4-9-18-13/h3-7,9,11H,2,8,10H2,1H3
InChIKeyBHYVSXNESOFFGD-UHFFFAOYSA-N
XLogP2.42
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.42
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

5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione
CID 61355634
5-ethyl-1-(pyrimidin-2-ylmethyl)indole-2,3-dione
CID 62699942
4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61357169
6,7-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61357076
5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione
CID 61388464
5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61356316
5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile
CID 65255931
1-(2,3-dihydroxypropyl)-5-ethylindole-2,3-dione
CID 82850558
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
5-methoxy-1-(2-phenylethyl)indole-2,3-dione
CID 61355458
4-(5-ethyl-2,3-dioxoindol-1-yl)-2-methylbut-2-enoic acid
CID 77076054
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione?
The IUPAC name of 5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione (CID 61355626) is 5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione.
What is the SMILES notation for 5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione?
The canonical SMILES for 5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione is CCc1ccc2c(c1)C(=O)C(=O)N2CCc1ccccn1.
What is the InChIKey of 5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione?
The InChIKey is BHYVSXNESOFFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-12-6-7-15-14(11-12)16(20)17(21)19(15)10-8-13-5-3-4-9-18-13/h3-7,9,11H,2,8,10H2,1H3.
What are the key properties of 5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione?
5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione has a molecular weight of 280.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione is sourced from PubChem (CID 61355626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).