6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one

C17H20N2O — CID 114701766

IUPAC6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one
SMILESCc1cnccc1Cn1ccc2c1CC(C)(C)CC2=O
InChIInChI=1S/C17H20N2O/c1-12-10-18-6-4-13(12)11-19-7-5-14-15(19)8-17(2,3)9-16(14)20/h4-7,10H,8-9,11H2,1-3H3
InChIKeyKIDQXDIWUMRWCV-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.39
Rot. Bonds2

About 6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one

6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one (PubChem CID 114701766) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one
PubChem CID114701766
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one
SMILESCc1cnccc1Cn1ccc2c1CC(C)(C)CC2=O
InChIInChI=1S/C17H20N2O/c1-12-10-18-6-4-13(12)11-19-7-5-14-15(19)8-17(2,3)9-16(14)20/h4-7,10H,8-9,11H2,1-3H3
InChIKeyKIDQXDIWUMRWCV-UHFFFAOYSA-N
XLogP3.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one?
The IUPAC name of 6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one (CID 114701766) is 6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one.
What is the SMILES notation for 6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one?
The canonical SMILES for 6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one is Cc1cnccc1Cn1ccc2c1CC(C)(C)CC2=O.
What is the InChIKey of 6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one?
The InChIKey is KIDQXDIWUMRWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-10-18-6-4-13(12)11-19-7-5-14-15(19)8-17(2,3)9-16(14)20/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of 6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one?
6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one has a molecular weight of 268.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one is sourced from PubChem (CID 114701766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).