5,6-diethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one

C13H19NO — CID 139990118

IUPAC5,6-diethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCCC1Cc2[nH]c(C)cc2C(=O)C1CC
InChIInChI=1S/C13H19NO/c1-4-9-7-12-11(6-8(3)14-12)13(15)10(9)5-2/h6,9-10,14H,4-5,7H2,1-3H3
InChIKeyHOBLMTGHGWJIBS-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.11
Rot. Bonds2

About 5,6-diethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one

5,6-diethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one (PubChem CID 139990118) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5,6-diethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name5,6-diethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one
PubChem CID139990118
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5,6-diethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCCC1Cc2[nH]c(C)cc2C(=O)C1CC
InChIInChI=1S/C13H19NO/c1-4-9-7-12-11(6-8(3)14-12)13(15)10(9)5-2/h6,9-10,14H,4-5,7H2,1-3H3
InChIKeyHOBLMTGHGWJIBS-UHFFFAOYSA-N
XLogP3.11
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 5,6-diethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one (CID 139990118) is 5,6-diethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 5,6-diethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 5,6-diethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one is CCC1Cc2[nH]c(C)cc2C(=O)C1CC.
What is the InChIKey of 5,6-diethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is HOBLMTGHGWJIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-9-7-12-11(6-8(3)14-12)13(15)10(9)5-2/h6,9-10,14H,4-5,7H2,1-3H3.
What are the key properties of 5,6-diethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one?
5,6-diethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 205.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 139990118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).