1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile

C16H24N2Si — CID 132575285

IUPAC1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile
SMILESCC(C)[Si](C#Cn1cccc1C#N)(C(C)C)C(C)C
InChIInChI=1S/C16H24N2Si/c1-13(2)19(14(3)4,15(5)6)11-10-18-9-7-8-16(18)12-17/h7-9,13-15H,1-6H3
InChIKeyNXYJVVYAGRJUHZ-UHFFFAOYSA-N
MW272.47 g/mol
LogP4.39
Rot. Bonds3

About 1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile

1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile (PubChem CID 132575285) has the molecular formula C16H24N2Si and a molecular weight of 272.47 g/mol. Its IUPAC name is 1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile
PubChem CID132575285
Molecular FormulaC16H24N2Si
Molecular Weight272.47 g/mol
Exact Mass272.17
IUPAC Name1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile
SMILESCC(C)[Si](C#Cn1cccc1C#N)(C(C)C)C(C)C
InChIInChI=1S/C16H24N2Si/c1-13(2)19(14(3)4,15(5)6)11-10-18-9-7-8-16(18)12-17/h7-9,13-15H,1-6H3
InChIKeyNXYJVVYAGRJUHZ-UHFFFAOYSA-N
XLogP4.39
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hydroxypropan-2-yl)pyrrole-2-carbonitrile
CID 126976021
1-(3-oxobutan-2-yl)pyrrole-2-carbonitrile
CID 114651433
1-[(2S)-2-bromopropanoyl]pyrrole-2-carbonitrile
CID 141169546
1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile
CID 106932986
2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane
CID 101479437
2-(2-methylbenzimidazol-1-yl)ethynyl-tri(propan-2-yl)silane
CID 46177105
1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pyrrole-2-carbonitrile
CID 114653453
1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile
CID 114653466
1-(4-methylphenyl)pyrrole-2-carbonitrile
CID 2797715
1-(2,2-difluoroethyl)pyrrole-2-carbonitrile
CID 84650304
1-(methoxymethyl)pyrrole-2-carbonitrile
CID 112692720
tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 11657473

Frequently Asked Questions

What is the IUPAC name of 1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile (CID 132575285) is 1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile is CC(C)[Si](C#Cn1cccc1C#N)(C(C)C)C(C)C.
What is the InChIKey of 1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile?
The InChIKey is NXYJVVYAGRJUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2Si/c1-13(2)19(14(3)4,15(5)6)11-10-18-9-7-8-16(18)12-17/h7-9,13-15H,1-6H3.
What are the key properties of 1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile?
1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile has a molecular weight of 272.47 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-tri(propan-2-yl)silylethynyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 132575285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).