1-(dimethylamino)-6,7-dihydro-5H-indol-4-one

C10H14N2O — CID 83023680

IUPAC1-(dimethylamino)-6,7-dihydro-5H-indol-4-one
SMILESCN(C)n1ccc2c1CCCC2=O
InChIInChI=1S/C10H14N2O/c1-11(2)12-7-6-8-9(12)4-3-5-10(8)13/h6-7H,3-5H2,1-2H3
InChIKeyLLATTXKETJPRRE-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.20
Rot. Bonds1

About 1-(dimethylamino)-6,7-dihydro-5H-indol-4-one

1-(dimethylamino)-6,7-dihydro-5H-indol-4-one (PubChem CID 83023680) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(dimethylamino)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(dimethylamino)-6,7-dihydro-5H-indol-4-one
PubChem CID83023680
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-(dimethylamino)-6,7-dihydro-5H-indol-4-one
SMILESCN(C)n1ccc2c1CCCC2=O
InChIInChI=1S/C10H14N2O/c1-11(2)12-7-6-8-9(12)4-3-5-10(8)13/h6-7H,3-5H2,1-2H3
InChIKeyLLATTXKETJPRRE-UHFFFAOYSA-N
XLogP1.20
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(dimethylamino)-6,7-dihydro-5H-indol-4-one (CID 83023680) is 1-(dimethylamino)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(dimethylamino)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(dimethylamino)-6,7-dihydro-5H-indol-4-one is CN(C)n1ccc2c1CCCC2=O.
What is the InChIKey of 1-(dimethylamino)-6,7-dihydro-5H-indol-4-one?
The InChIKey is LLATTXKETJPRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-11(2)12-7-6-8-9(12)4-3-5-10(8)13/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(dimethylamino)-6,7-dihydro-5H-indol-4-one?
1-(dimethylamino)-6,7-dihydro-5H-indol-4-one has a molecular weight of 178.24 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 83023680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).