1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one

C15H21NO3 — CID 84758391

IUPAC1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one
SMILESCCC(O)c1ccc2c(c1)C(C)(C)C(=O)N2CCO
InChIInChI=1S/C15H21NO3/c1-4-13(18)10-5-6-12-11(9-10)15(2,3)14(19)16(12)7-8-17/h5-6,9,13,17-18H,4,7-8H2,1-3H3
InChIKeySEHYEFDIJOPCDM-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.75
Rot. Bonds4

About 1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one

1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one (PubChem CID 84758391) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one
PubChem CID84758391
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one
SMILESCCC(O)c1ccc2c(c1)C(C)(C)C(=O)N2CCO
InChIInChI=1S/C15H21NO3/c1-4-13(18)10-5-6-12-11(9-10)15(2,3)14(19)16(12)7-8-17/h5-6,9,13,17-18H,4,7-8H2,1-3H3
InChIKeySEHYEFDIJOPCDM-UHFFFAOYSA-N
XLogP1.75
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one (CID 84758391) is 1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one is CCC(O)c1ccc2c(c1)C(C)(C)C(=O)N2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one?
The InChIKey is SEHYEFDIJOPCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-13(18)10-5-6-12-11(9-10)15(2,3)14(19)16(12)7-8-17/h5-6,9,13,17-18H,4,7-8H2,1-3H3.
What are the key properties of 1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one?
1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-5-(1-hydroxypropyl)-3,3-dimethylindol-2-one is sourced from PubChem (CID 84758391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).