(3E)-1-[tert-butyl(dimethyl)silyl]-5-chloro-3-methoxyiminoindol-2-one

C15H21ClN2O2Si — CID 5377783

IUPAC(3E)-1-[tert-butyl(dimethyl)silyl]-5-chloro-3-methoxyiminoindol-2-one
SMILESCO/N=C1/C(=O)N([Si](C)(C)C(C)(C)C)c2ccc(Cl)cc21
InChIInChI=1S/C15H21ClN2O2Si/c1-15(2,3)21(5,6)18-12-8-7-10(16)9-11(12)13(14(18)19)17-20-4/h7-9H,1-6H3/b17-13+
InChIKeyDRPLREKOUDQTFB-GHRIWEEISA-N
MW324.88 g/mol
LogP4.04
Rot. Bonds2

About (3E)-1-[tert-butyl(dimethyl)silyl]-5-chloro-3-methoxyiminoindol-2-one

(3E)-1-[tert-butyl(dimethyl)silyl]-5-chloro-3-methoxyiminoindol-2-one (PubChem CID 5377783) has the molecular formula C15H21ClN2O2Si and a molecular weight of 324.88 g/mol. Its IUPAC name is (3E)-1-[tert-butyl(dimethyl)silyl]-5-chloro-3-methoxyiminoindol-2-one.

Molecular Properties

Compound Name(3E)-1-[tert-butyl(dimethyl)silyl]-5-chloro-3-methoxyiminoindol-2-one
PubChem CID5377783
Molecular FormulaC15H21ClN2O2Si
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name(3E)-1-[tert-butyl(dimethyl)silyl]-5-chloro-3-methoxyiminoindol-2-one
SMILESCO/N=C1/C(=O)N([Si](C)(C)C(C)(C)C)c2ccc(Cl)cc21
InChIInChI=1S/C15H21ClN2O2Si/c1-15(2,3)21(5,6)18-12-8-7-10(16)9-11(12)13(14(18)19)17-20-4/h7-9H,1-6H3/b17-13+
InChIKeyDRPLREKOUDQTFB-GHRIWEEISA-N
XLogP4.04
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-1-[tert-butyl(dimethyl)silyl]-5-chloro-3-methoxyiminoindol-2-one?
The IUPAC name of (3E)-1-[tert-butyl(dimethyl)silyl]-5-chloro-3-methoxyiminoindol-2-one (CID 5377783) is (3E)-1-[tert-butyl(dimethyl)silyl]-5-chloro-3-methoxyiminoindol-2-one.
What is the SMILES notation for (3E)-1-[tert-butyl(dimethyl)silyl]-5-chloro-3-methoxyiminoindol-2-one?
The canonical SMILES for (3E)-1-[tert-butyl(dimethyl)silyl]-5-chloro-3-methoxyiminoindol-2-one is CO/N=C1/C(=O)N([Si](C)(C)C(C)(C)C)c2ccc(Cl)cc21.
What is the InChIKey of (3E)-1-[tert-butyl(dimethyl)silyl]-5-chloro-3-methoxyiminoindol-2-one?
The InChIKey is DRPLREKOUDQTFB-GHRIWEEISA-N. The full InChI is InChI=1S/C15H21ClN2O2Si/c1-15(2,3)21(5,6)18-12-8-7-10(16)9-11(12)13(14(18)19)17-20-4/h7-9H,1-6H3/b17-13+.
What are the key properties of (3E)-1-[tert-butyl(dimethyl)silyl]-5-chloro-3-methoxyiminoindol-2-one?
(3E)-1-[tert-butyl(dimethyl)silyl]-5-chloro-3-methoxyiminoindol-2-one has a molecular weight of 324.88 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-[tert-butyl(dimethyl)silyl]-5-chloro-3-methoxyiminoindol-2-one is sourced from PubChem (CID 5377783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).