3-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-ylidene]propyl]-1H-indole-4-carbonitrile

C24H32N2OSi — CID 132603716

IUPAC3-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-ylidene]propyl]-1H-indole-4-carbonitrile
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)/C(=C(/C)Cc2c[nH]c3cccc(C#N)c23)CC1
InChIInChI=1S/C24H32N2OSi/c1-16-11-12-20(23(16)27-28(6,7)24(3,4)5)17(2)13-19-15-26-21-10-8-9-18(14-25)22(19)21/h8-10,15,26H,11-13H2,1-7H3/b20-17-
InChIKeyCQYAIOCDBUJGGL-JZJYNLBNSA-N
MW392.62 g/mol
LogP6.99
Rot. Bonds4

About 3-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-ylidene]propyl]-1H-indole-4-carbonitrile

3-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-ylidene]propyl]-1H-indole-4-carbonitrile (PubChem CID 132603716) has the molecular formula C24H32N2OSi and a molecular weight of 392.62 g/mol. Its IUPAC name is 3-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-ylidene]propyl]-1H-indole-4-carbonitrile.

Molecular Properties

Compound Name3-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-ylidene]propyl]-1H-indole-4-carbonitrile
PubChem CID132603716
Molecular FormulaC24H32N2OSi
Molecular Weight392.62 g/mol
Exact Mass392.23
IUPAC Name3-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-ylidene]propyl]-1H-indole-4-carbonitrile
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)/C(=C(/C)Cc2c[nH]c3cccc(C#N)c23)CC1
InChIInChI=1S/C24H32N2OSi/c1-16-11-12-20(23(16)27-28(6,7)24(3,4)5)17(2)13-19-15-26-21-10-8-9-18(14-25)22(19)21/h8-10,15,26H,11-13H2,1-7H3/b20-17-
InChIKeyCQYAIOCDBUJGGL-JZJYNLBNSA-N
XLogP6.99
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.62
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-ylidene]propyl]-1H-indole-4-carbonitrile?
The IUPAC name of 3-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-ylidene]propyl]-1H-indole-4-carbonitrile (CID 132603716) is 3-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-ylidene]propyl]-1H-indole-4-carbonitrile.
What is the SMILES notation for 3-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-ylidene]propyl]-1H-indole-4-carbonitrile?
The canonical SMILES for 3-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-ylidene]propyl]-1H-indole-4-carbonitrile is CC1=C(O[Si](C)(C)C(C)(C)C)/C(=C(/C)Cc2c[nH]c3cccc(C#N)c23)CC1.
What is the InChIKey of 3-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-ylidene]propyl]-1H-indole-4-carbonitrile?
The InChIKey is CQYAIOCDBUJGGL-JZJYNLBNSA-N. The full InChI is InChI=1S/C24H32N2OSi/c1-16-11-12-20(23(16)27-28(6,7)24(3,4)5)17(2)13-19-15-26-21-10-8-9-18(14-25)22(19)21/h8-10,15,26H,11-13H2,1-7H3/b20-17-.
What are the key properties of 3-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-ylidene]propyl]-1H-indole-4-carbonitrile?
3-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-ylidene]propyl]-1H-indole-4-carbonitrile has a molecular weight of 392.62 g/mol, XLogP of 6.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[2-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-ylidene]propyl]-1H-indole-4-carbonitrile is sourced from PubChem (CID 132603716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).