5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile

C17H20N2O2 — CID 65255931

IUPAC5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2CCCC(C)(C)C#N
InChIInChI=1S/C17H20N2O2/c1-4-12-6-7-14-13(10-12)15(20)16(21)19(14)9-5-8-17(2,3)11-18/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyPPSMRXUYBSEDHG-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.11
Rot. Bonds5

About 5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile

5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile (PubChem CID 65255931) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile
PubChem CID65255931
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2CCCC(C)(C)C#N
InChIInChI=1S/C17H20N2O2/c1-4-12-6-7-14-13(10-12)15(20)16(21)19(14)9-5-8-17(2,3)11-18/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyPPSMRXUYBSEDHG-UHFFFAOYSA-N
XLogP3.11
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.11
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 5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile (CID 65255931) is 5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile is CCc1ccc2c(c1)C(=O)C(=O)N2CCCC(C)(C)C#N.
What is the InChIKey of 5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile?
The InChIKey is PPSMRXUYBSEDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-12-6-7-14-13(10-12)15(20)16(21)19(14)9-5-8-17(2,3)11-18/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile?
5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile has a molecular weight of 284.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65255931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).