5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one

C14H19NO2 — CID 82475607

IUPAC5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(CCCO)ccc21
InChIInChI=1S/C14H19NO2/c1-14(2)11-9-10(5-4-8-16)6-7-12(11)15(3)13(14)17/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeyUQILZQFBAHWQNF-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.87
Rot. Bonds3

About 5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one

5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one (PubChem CID 82475607) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one.

Molecular Properties

Compound Name5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one
PubChem CID82475607
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(CCCO)ccc21
InChIInChI=1S/C14H19NO2/c1-14(2)11-9-10(5-4-8-16)6-7-12(11)15(3)13(14)17/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeyUQILZQFBAHWQNF-UHFFFAOYSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one?
The IUPAC name of 5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one (CID 82475607) is 5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one.
What is the SMILES notation for 5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one?
The canonical SMILES for 5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one is CN1C(=O)C(C)(C)c2cc(CCCO)ccc21.
What is the InChIKey of 5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one?
The InChIKey is UQILZQFBAHWQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2)11-9-10(5-4-8-16)6-7-12(11)15(3)13(14)17/h6-7,9,16H,4-5,8H2,1-3H3.
What are the key properties of 5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one?
5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 82475607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).