3-[(5E)-5-isoquinolin-2-id-1-ylidenecyclopenta-1,3-dien-1-yl]propyl-trimethylsilane

C20H24NSi- — CID 134950033

IUPAC3-[(5E)-5-isoquinolin-2-id-1-ylidenecyclopenta-1,3-dien-1-yl]propyl-trimethylsilane
SMILESC[Si](C)(C)CCCC1=CC=C/C1=C1\[N-]C=Cc2ccccc21
InChIInChI=1S/C20H24NSi/c1-22(2,3)15-7-10-16-9-6-12-19(16)20-18-11-5-4-8-17(18)13-14-21-20/h4-6,8-9,11-14H,7,10,15H2,1-3H3/q-1/b20-19+
InChIKeyNDUNTCKGIFAQPR-FMQUCBEESA-N
MW306.50 g/mol
LogP6.37
Rot. Bonds4

About 3-[(5E)-5-isoquinolin-2-id-1-ylidenecyclopenta-1,3-dien-1-yl]propyl-trimethylsilane

3-[(5E)-5-isoquinolin-2-id-1-ylidenecyclopenta-1,3-dien-1-yl]propyl-trimethylsilane (PubChem CID 134950033) has the molecular formula C20H24NSi- and a molecular weight of 306.50 g/mol. Its IUPAC name is 3-[(5E)-5-isoquinolin-2-id-1-ylidenecyclopenta-1,3-dien-1-yl]propyl-trimethylsilane.

Molecular Properties

Compound Name3-[(5E)-5-isoquinolin-2-id-1-ylidenecyclopenta-1,3-dien-1-yl]propyl-trimethylsilane
PubChem CID134950033
Molecular FormulaC20H24NSi-
Molecular Weight306.50 g/mol
Exact Mass306.17
IUPAC Name3-[(5E)-5-isoquinolin-2-id-1-ylidenecyclopenta-1,3-dien-1-yl]propyl-trimethylsilane
SMILESC[Si](C)(C)CCCC1=CC=C/C1=C1\[N-]C=Cc2ccccc21
InChIInChI=1S/C20H24NSi/c1-22(2,3)15-7-10-16-9-6-12-19(16)20-18-11-5-4-8-17(18)13-14-21-20/h4-6,8-9,11-14H,7,10,15H2,1-3H3/q-1/b20-19+
InChIKeyNDUNTCKGIFAQPR-FMQUCBEESA-N
XLogP6.37
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.50
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-[(5E)-5-isoquinolin-2-id-1-ylidenecyclopenta-1,3-dien-1-yl]propyl-trimethylsilane?
The IUPAC name of 3-[(5E)-5-isoquinolin-2-id-1-ylidenecyclopenta-1,3-dien-1-yl]propyl-trimethylsilane (CID 134950033) is 3-[(5E)-5-isoquinolin-2-id-1-ylidenecyclopenta-1,3-dien-1-yl]propyl-trimethylsilane.
What is the SMILES notation for 3-[(5E)-5-isoquinolin-2-id-1-ylidenecyclopenta-1,3-dien-1-yl]propyl-trimethylsilane?
The canonical SMILES for 3-[(5E)-5-isoquinolin-2-id-1-ylidenecyclopenta-1,3-dien-1-yl]propyl-trimethylsilane is C[Si](C)(C)CCCC1=CC=C/C1=C1\[N-]C=Cc2ccccc21.
What is the InChIKey of 3-[(5E)-5-isoquinolin-2-id-1-ylidenecyclopenta-1,3-dien-1-yl]propyl-trimethylsilane?
The InChIKey is NDUNTCKGIFAQPR-FMQUCBEESA-N. The full InChI is InChI=1S/C20H24NSi/c1-22(2,3)15-7-10-16-9-6-12-19(16)20-18-11-5-4-8-17(18)13-14-21-20/h4-6,8-9,11-14H,7,10,15H2,1-3H3/q-1/b20-19+.
What are the key properties of 3-[(5E)-5-isoquinolin-2-id-1-ylidenecyclopenta-1,3-dien-1-yl]propyl-trimethylsilane?
3-[(5E)-5-isoquinolin-2-id-1-ylidenecyclopenta-1,3-dien-1-yl]propyl-trimethylsilane has a molecular weight of 306.50 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-isoquinolin-2-id-1-ylidenecyclopenta-1,3-dien-1-yl]propyl-trimethylsilane is sourced from PubChem (CID 134950033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).