1,2-dimethyl-5H-indol-4-one;ethane

C12H17NO — CID 91153682

IUPAC1,2-dimethyl-5H-indol-4-one;ethane
SMILESCC.Cc1cc2c(n1C)C=CCC2=O
InChIInChI=1S/C10H11NO.C2H6/c1-7-6-8-9(11(7)2)4-3-5-10(8)12;1-2/h3-4,6H,5H2,1-2H3;1-2H3
InChIKeyZACYDTJDJMJFHW-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.96
Rot. Bonds

About 1,2-dimethyl-5H-indol-4-one;ethane

1,2-dimethyl-5H-indol-4-one;ethane (PubChem CID 91153682) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1,2-dimethyl-5H-indol-4-one;ethane.

Molecular Properties

Compound Name1,2-dimethyl-5H-indol-4-one;ethane
PubChem CID91153682
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1,2-dimethyl-5H-indol-4-one;ethane
SMILESCC.Cc1cc2c(n1C)C=CCC2=O
InChIInChI=1S/C10H11NO.C2H6/c1-7-6-8-9(11(7)2)4-3-5-10(8)12;1-2/h3-4,6H,5H2,1-2H3;1-2H3
InChIKeyZACYDTJDJMJFHW-UHFFFAOYSA-N
XLogP2.96
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5H-indol-4-one;ethane?
The IUPAC name of 1,2-dimethyl-5H-indol-4-one;ethane (CID 91153682) is 1,2-dimethyl-5H-indol-4-one;ethane.
What is the SMILES notation for 1,2-dimethyl-5H-indol-4-one;ethane?
The canonical SMILES for 1,2-dimethyl-5H-indol-4-one;ethane is CC.Cc1cc2c(n1C)C=CCC2=O.
What is the InChIKey of 1,2-dimethyl-5H-indol-4-one;ethane?
The InChIKey is ZACYDTJDJMJFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C2H6/c1-7-6-8-9(11(7)2)4-3-5-10(8)12;1-2/h3-4,6H,5H2,1-2H3;1-2H3.
What are the key properties of 1,2-dimethyl-5H-indol-4-one;ethane?
1,2-dimethyl-5H-indol-4-one;ethane has a molecular weight of 191.27 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5H-indol-4-one;ethane is sourced from PubChem (CID 91153682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).