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

C14H19NO2 — CID 82172350

IUPAC5-(1-hydroxypropyl)-1,3,3-trimethylindol-2-one
SMILESCCC(O)c1ccc2c(c1)C(C)(C)C(=O)N2C
InChIInChI=1S/C14H19NO2/c1-5-12(16)9-6-7-11-10(8-9)14(2,3)13(17)15(11)4/h6-8,12,16H,5H2,1-4H3
InChIKeyDPDXGLDSRHTBSX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.38
Rot. Bonds2

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

5-(1-hydroxypropyl)-1,3,3-trimethylindol-2-one (PubChem CID 82172350) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-(1-hydroxypropyl)-1,3,3-trimethylindol-2-one.

Molecular Properties

Compound Name5-(1-hydroxypropyl)-1,3,3-trimethylindol-2-one
PubChem CID82172350
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name5-(1-hydroxypropyl)-1,3,3-trimethylindol-2-one
SMILESCCC(O)c1ccc2c(c1)C(C)(C)C(=O)N2C
InChIInChI=1S/C14H19NO2/c1-5-12(16)9-6-7-11-10(8-9)14(2,3)13(17)15(11)4/h6-8,12,16H,5H2,1-4H3
InChIKeyDPDXGLDSRHTBSX-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypropyl)-1,3,3-trimethylindol-2-one?
The IUPAC name of 5-(1-hydroxypropyl)-1,3,3-trimethylindol-2-one (CID 82172350) is 5-(1-hydroxypropyl)-1,3,3-trimethylindol-2-one.
What is the SMILES notation for 5-(1-hydroxypropyl)-1,3,3-trimethylindol-2-one?
The canonical SMILES for 5-(1-hydroxypropyl)-1,3,3-trimethylindol-2-one is CCC(O)c1ccc2c(c1)C(C)(C)C(=O)N2C.
What is the InChIKey of 5-(1-hydroxypropyl)-1,3,3-trimethylindol-2-one?
The InChIKey is DPDXGLDSRHTBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-12(16)9-6-7-11-10(8-9)14(2,3)13(17)15(11)4/h6-8,12,16H,5H2,1-4H3.
What are the key properties of 5-(1-hydroxypropyl)-1,3,3-trimethylindol-2-one?
5-(1-hydroxypropyl)-1,3,3-trimethylindol-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxypropyl)-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 82172350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).