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

C13H17NO2 — CID 82172867

IUPAC5-(1-hydroxyethyl)-3,3,7-trimethyl-1H-indol-2-one
SMILESCc1cc(C(C)O)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C13H17NO2/c1-7-5-9(8(2)15)6-10-11(7)14-12(16)13(10,3)4/h5-6,8,15H,1-4H3,(H,14,16)
InChIKeyGMINBOLBTBXARD-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.28
Rot. Bonds1

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

5-(1-hydroxyethyl)-3,3,7-trimethyl-1H-indol-2-one (PubChem CID 82172867) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-3,3,7-trimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-3,3,7-trimethyl-1H-indol-2-one
PubChem CID82172867
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5-(1-hydroxyethyl)-3,3,7-trimethyl-1H-indol-2-one
SMILESCc1cc(C(C)O)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C13H17NO2/c1-7-5-9(8(2)15)6-10-11(7)14-12(16)13(10,3)4/h5-6,8,15H,1-4H3,(H,14,16)
InChIKeyGMINBOLBTBXARD-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-3,3,7-trimethyl-1H-indol-2-one?
The IUPAC name of 5-(1-hydroxyethyl)-3,3,7-trimethyl-1H-indol-2-one (CID 82172867) is 5-(1-hydroxyethyl)-3,3,7-trimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(1-hydroxyethyl)-3,3,7-trimethyl-1H-indol-2-one?
The canonical SMILES for 5-(1-hydroxyethyl)-3,3,7-trimethyl-1H-indol-2-one is Cc1cc(C(C)O)cc2c1NC(=O)C2(C)C.
What is the InChIKey of 5-(1-hydroxyethyl)-3,3,7-trimethyl-1H-indol-2-one?
The InChIKey is GMINBOLBTBXARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-7-5-9(8(2)15)6-10-11(7)14-12(16)13(10,3)4/h5-6,8,15H,1-4H3,(H,14,16).
What are the key properties of 5-(1-hydroxyethyl)-3,3,7-trimethyl-1H-indol-2-one?
5-(1-hydroxyethyl)-3,3,7-trimethyl-1H-indol-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-3,3,7-trimethyl-1H-indol-2-one is sourced from PubChem (CID 82172867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).