5-ethyl-7-(1-hydroxyethyl)-3,3-dimethyl-1H-indol-2-one

C14H19NO2 — CID 82172700

IUPAC5-ethyl-7-(1-hydroxyethyl)-3,3-dimethyl-1H-indol-2-one
SMILESCCc1cc(C(C)O)c2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C14H19NO2/c1-5-9-6-10(8(2)16)12-11(7-9)14(3,4)13(17)15-12/h6-8,16H,5H2,1-4H3,(H,15,17)
InChIKeyANPAULOLJIPLTF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.53
Rot. Bonds2

About 5-ethyl-7-(1-hydroxyethyl)-3,3-dimethyl-1H-indol-2-one

5-ethyl-7-(1-hydroxyethyl)-3,3-dimethyl-1H-indol-2-one (PubChem CID 82172700) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-ethyl-7-(1-hydroxyethyl)-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-ethyl-7-(1-hydroxyethyl)-3,3-dimethyl-1H-indol-2-one
PubChem CID82172700
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name5-ethyl-7-(1-hydroxyethyl)-3,3-dimethyl-1H-indol-2-one
SMILESCCc1cc(C(C)O)c2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C14H19NO2/c1-5-9-6-10(8(2)16)12-11(7-9)14(3,4)13(17)15-12/h6-8,16H,5H2,1-4H3,(H,15,17)
InChIKeyANPAULOLJIPLTF-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-(1-hydroxyethyl)-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-ethyl-7-(1-hydroxyethyl)-3,3-dimethyl-1H-indol-2-one (CID 82172700) is 5-ethyl-7-(1-hydroxyethyl)-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-ethyl-7-(1-hydroxyethyl)-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-ethyl-7-(1-hydroxyethyl)-3,3-dimethyl-1H-indol-2-one is CCc1cc(C(C)O)c2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 5-ethyl-7-(1-hydroxyethyl)-3,3-dimethyl-1H-indol-2-one?
The InChIKey is ANPAULOLJIPLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-9-6-10(8(2)16)12-11(7-9)14(3,4)13(17)15-12/h6-8,16H,5H2,1-4H3,(H,15,17).
What are the key properties of 5-ethyl-7-(1-hydroxyethyl)-3,3-dimethyl-1H-indol-2-one?
5-ethyl-7-(1-hydroxyethyl)-3,3-dimethyl-1H-indol-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-(1-hydroxyethyl)-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82172700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).