1-[5-(2-hydroxypropyl)indol-1-yl]-2,2-dimethylpropan-1-one

C16H21NO2 — CID 175552202

IUPAC1-[5-(2-hydroxypropyl)indol-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(O)Cc1ccc2c(ccn2C(=O)C(C)(C)C)c1
InChIInChI=1S/C16H21NO2/c1-11(18)9-12-5-6-14-13(10-12)7-8-17(14)15(19)16(2,3)4/h5-8,10-11,18H,9H2,1-4H3
InChIKeyRWENDQROAKPPAP-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.25
Rot. Bonds2

About 1-[5-(2-hydroxypropyl)indol-1-yl]-2,2-dimethylpropan-1-one

1-[5-(2-hydroxypropyl)indol-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 175552202) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[5-(2-hydroxypropyl)indol-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[5-(2-hydroxypropyl)indol-1-yl]-2,2-dimethylpropan-1-one
PubChem CID175552202
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[5-(2-hydroxypropyl)indol-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(O)Cc1ccc2c(ccn2C(=O)C(C)(C)C)c1
InChIInChI=1S/C16H21NO2/c1-11(18)9-12-5-6-14-13(10-12)7-8-17(14)15(19)16(2,3)4/h5-8,10-11,18H,9H2,1-4H3
InChIKeyRWENDQROAKPPAP-UHFFFAOYSA-N
XLogP3.25
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxypropyl)indol-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[5-(2-hydroxypropyl)indol-1-yl]-2,2-dimethylpropan-1-one (CID 175552202) is 1-[5-(2-hydroxypropyl)indol-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[5-(2-hydroxypropyl)indol-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[5-(2-hydroxypropyl)indol-1-yl]-2,2-dimethylpropan-1-one is CC(O)Cc1ccc2c(ccn2C(=O)C(C)(C)C)c1.
What is the InChIKey of 1-[5-(2-hydroxypropyl)indol-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is RWENDQROAKPPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11(18)9-12-5-6-14-13(10-12)7-8-17(14)15(19)16(2,3)4/h5-8,10-11,18H,9H2,1-4H3.
What are the key properties of 1-[5-(2-hydroxypropyl)indol-1-yl]-2,2-dimethylpropan-1-one?
1-[5-(2-hydroxypropyl)indol-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 259.35 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxypropyl)indol-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 175552202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).