1-(3,5,7-trimethyl-3-propan-2-yl-2H-indol-1-yl)propan-1-one

C17H25NO — CID 174916269

IUPAC1-(3,5,7-trimethyl-3-propan-2-yl-2H-indol-1-yl)propan-1-one
SMILESCCC(=O)N1CC(C)(C(C)C)c2cc(C)cc(C)c21
InChIInChI=1S/C17H25NO/c1-7-15(19)18-10-17(6,11(2)3)14-9-12(4)8-13(5)16(14)18/h8-9,11H,7,10H2,1-6H3
InChIKeyQBKHALSFLQOEHH-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.97
Rot. Bonds2

About 1-(3,5,7-trimethyl-3-propan-2-yl-2H-indol-1-yl)propan-1-one

1-(3,5,7-trimethyl-3-propan-2-yl-2H-indol-1-yl)propan-1-one (PubChem CID 174916269) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(3,5,7-trimethyl-3-propan-2-yl-2H-indol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,5,7-trimethyl-3-propan-2-yl-2H-indol-1-yl)propan-1-one
PubChem CID174916269
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(3,5,7-trimethyl-3-propan-2-yl-2H-indol-1-yl)propan-1-one
SMILESCCC(=O)N1CC(C)(C(C)C)c2cc(C)cc(C)c21
InChIInChI=1S/C17H25NO/c1-7-15(19)18-10-17(6,11(2)3)14-9-12(4)8-13(5)16(14)18/h8-9,11H,7,10H2,1-6H3
InChIKeyQBKHALSFLQOEHH-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5,7-trimethyl-3-propan-2-yl-2H-indol-1-yl)propan-1-one?
The IUPAC name of 1-(3,5,7-trimethyl-3-propan-2-yl-2H-indol-1-yl)propan-1-one (CID 174916269) is 1-(3,5,7-trimethyl-3-propan-2-yl-2H-indol-1-yl)propan-1-one.
What is the SMILES notation for 1-(3,5,7-trimethyl-3-propan-2-yl-2H-indol-1-yl)propan-1-one?
The canonical SMILES for 1-(3,5,7-trimethyl-3-propan-2-yl-2H-indol-1-yl)propan-1-one is CCC(=O)N1CC(C)(C(C)C)c2cc(C)cc(C)c21.
What is the InChIKey of 1-(3,5,7-trimethyl-3-propan-2-yl-2H-indol-1-yl)propan-1-one?
The InChIKey is QBKHALSFLQOEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-7-15(19)18-10-17(6,11(2)3)14-9-12(4)8-13(5)16(14)18/h8-9,11H,7,10H2,1-6H3.
What are the key properties of 1-(3,5,7-trimethyl-3-propan-2-yl-2H-indol-1-yl)propan-1-one?
1-(3,5,7-trimethyl-3-propan-2-yl-2H-indol-1-yl)propan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5,7-trimethyl-3-propan-2-yl-2H-indol-1-yl)propan-1-one is sourced from PubChem (CID 174916269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).