(3R)-3-hydroxy-3-[2-(trimethylsilylmethyl)prop-2-enyl]-1H-indol-2-one

C15H21NO2Si — CID 162404384

IUPAC(3R)-3-hydroxy-3-[2-(trimethylsilylmethyl)prop-2-enyl]-1H-indol-2-one
SMILESC=C(C[C@]1(O)C(=O)Nc2ccccc21)C[Si](C)(C)C
InChIInChI=1S/C15H21NO2Si/c1-11(10-19(2,3)4)9-15(18)12-7-5-6-8-13(12)16-14(15)17/h5-8,18H,1,9-10H2,2-4H3,(H,16,17)/t15-/m1/s1
InChIKeyQHRQFXKGCOHINC-OAHLLOKOSA-N
MW275.42 g/mol
LogP3.11
Rot. Bonds4

About (3R)-3-hydroxy-3-[2-(trimethylsilylmethyl)prop-2-enyl]-1H-indol-2-one

(3R)-3-hydroxy-3-[2-(trimethylsilylmethyl)prop-2-enyl]-1H-indol-2-one (PubChem CID 162404384) has the molecular formula C15H21NO2Si and a molecular weight of 275.42 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[2-(trimethylsilylmethyl)prop-2-enyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-[2-(trimethylsilylmethyl)prop-2-enyl]-1H-indol-2-one
PubChem CID162404384
Molecular FormulaC15H21NO2Si
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name(3R)-3-hydroxy-3-[2-(trimethylsilylmethyl)prop-2-enyl]-1H-indol-2-one
SMILESC=C(C[C@]1(O)C(=O)Nc2ccccc21)C[Si](C)(C)C
InChIInChI=1S/C15H21NO2Si/c1-11(10-19(2,3)4)9-15(18)12-7-5-6-8-13(12)16-14(15)17/h5-8,18H,1,9-10H2,2-4H3,(H,16,17)/t15-/m1/s1
InChIKeyQHRQFXKGCOHINC-OAHLLOKOSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[2-(trimethylsilylmethyl)prop-2-enyl]-1H-indol-2-one?
The IUPAC name of (3R)-3-hydroxy-3-[2-(trimethylsilylmethyl)prop-2-enyl]-1H-indol-2-one (CID 162404384) is (3R)-3-hydroxy-3-[2-(trimethylsilylmethyl)prop-2-enyl]-1H-indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-[2-(trimethylsilylmethyl)prop-2-enyl]-1H-indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-[2-(trimethylsilylmethyl)prop-2-enyl]-1H-indol-2-one is C=C(C[C@]1(O)C(=O)Nc2ccccc21)C[Si](C)(C)C.
What is the InChIKey of (3R)-3-hydroxy-3-[2-(trimethylsilylmethyl)prop-2-enyl]-1H-indol-2-one?
The InChIKey is QHRQFXKGCOHINC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21NO2Si/c1-11(10-19(2,3)4)9-15(18)12-7-5-6-8-13(12)16-14(15)17/h5-8,18H,1,9-10H2,2-4H3,(H,16,17)/t15-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-[2-(trimethylsilylmethyl)prop-2-enyl]-1H-indol-2-one?
(3R)-3-hydroxy-3-[2-(trimethylsilylmethyl)prop-2-enyl]-1H-indol-2-one has a molecular weight of 275.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-[2-(trimethylsilylmethyl)prop-2-enyl]-1H-indol-2-one is sourced from PubChem (CID 162404384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).