(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)-N-[2-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enyl]acetamide

C26H42N2O5Si3 — CID 59899643

IUPAC(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)-N-[2-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enyl]acetamide
SMILESC=C(CNC(=O)/C(C#N)=C1\CC(C)(C)c2cc(OC)c(OC)cc21)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C26H42N2O5Si3/c1-18(36(12,32-34(6,7)8)33-35(9,10)11)17-28-25(29)21(16-27)20-15-26(2,3)22-14-24(31-5)23(30-4)13-19(20)22/h13-14H,1,15,17H2,2-12H3,(H,28,29)/b21-20+
InChIKeyKWWZTQSEIXEBSP-QZQOTICOSA-N
MW546.89 g/mol
LogP5.65
Rot. Bonds10

About (2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)-N-[2-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enyl]acetamide

(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)-N-[2-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enyl]acetamide (PubChem CID 59899643) has the molecular formula C26H42N2O5Si3 and a molecular weight of 546.89 g/mol. Its IUPAC name is (2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)-N-[2-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enyl]acetamide.

Molecular Properties

Compound Name(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)-N-[2-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enyl]acetamide
PubChem CID59899643
Molecular FormulaC26H42N2O5Si3
Molecular Weight546.89 g/mol
Exact Mass546.24
IUPAC Name(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)-N-[2-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enyl]acetamide
SMILESC=C(CNC(=O)/C(C#N)=C1\CC(C)(C)c2cc(OC)c(OC)cc21)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C26H42N2O5Si3/c1-18(36(12,32-34(6,7)8)33-35(9,10)11)17-28-25(29)21(16-27)20-15-26(2,3)22-14-24(31-5)23(30-4)13-19(20)22/h13-14H,1,15,17H2,2-12H3,(H,28,29)/b21-20+
InChIKeyKWWZTQSEIXEBSP-QZQOTICOSA-N
XLogP5.65
TPSA89.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.89
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)-N-[2-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enyl]acetamide?
The IUPAC name of (2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)-N-[2-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enyl]acetamide (CID 59899643) is (2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)-N-[2-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enyl]acetamide.
What is the SMILES notation for (2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)-N-[2-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enyl]acetamide?
The canonical SMILES for (2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)-N-[2-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enyl]acetamide is C=C(CNC(=O)/C(C#N)=C1\CC(C)(C)c2cc(OC)c(OC)cc21)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)-N-[2-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enyl]acetamide?
The InChIKey is KWWZTQSEIXEBSP-QZQOTICOSA-N. The full InChI is InChI=1S/C26H42N2O5Si3/c1-18(36(12,32-34(6,7)8)33-35(9,10)11)17-28-25(29)21(16-27)20-15-26(2,3)22-14-24(31-5)23(30-4)13-19(20)22/h13-14H,1,15,17H2,2-12H3,(H,28,29)/b21-20+.
What are the key properties of (2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)-N-[2-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enyl]acetamide?
(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)-N-[2-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enyl]acetamide has a molecular weight of 546.89 g/mol, XLogP of 5.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)-N-[2-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enyl]acetamide is sourced from PubChem (CID 59899643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).