3-[2-cyanoethenyl(trimethylsilyl)amino]prop-2-enenitrile

C9H13N3Si — CID 175095303

IUPAC3-[2-cyanoethenyl(trimethylsilyl)amino]prop-2-enenitrile
SMILESC[Si](C)(C)N(C=CC#N)C=CC#N
InChIInChI=1S/C9H13N3Si/c1-13(2,3)12(8-4-6-10)9-5-7-11/h4-5,8-9H,1-3H3
InChIKeyNVNHDAJNQQJEGF-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.20
Rot. Bonds3

About 3-[2-cyanoethenyl(trimethylsilyl)amino]prop-2-enenitrile

3-[2-cyanoethenyl(trimethylsilyl)amino]prop-2-enenitrile (PubChem CID 175095303) has the molecular formula C9H13N3Si and a molecular weight of 191.31 g/mol. Its IUPAC name is 3-[2-cyanoethenyl(trimethylsilyl)amino]prop-2-enenitrile.

Molecular Properties

Compound Name3-[2-cyanoethenyl(trimethylsilyl)amino]prop-2-enenitrile
PubChem CID175095303
Molecular FormulaC9H13N3Si
Molecular Weight191.31 g/mol
Exact Mass191.09
IUPAC Name3-[2-cyanoethenyl(trimethylsilyl)amino]prop-2-enenitrile
SMILESC[Si](C)(C)N(C=CC#N)C=CC#N
InChIInChI=1S/C9H13N3Si/c1-13(2,3)12(8-4-6-10)9-5-7-11/h4-5,8-9H,1-3H3
InChIKeyNVNHDAJNQQJEGF-UHFFFAOYSA-N
XLogP2.20
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[[(Z)-2-cyanoethenyl]-trimethylsilyloxyamino]prop-2-enenitrile
CID 134932739
(E)-3-[di(propan-2-yl)amino]prop-2-enenitrile
CID 5368921
(2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile
CID 14086796
(E)-(413C)but-2-enenitrile
CID 10986149
bicyclo[4.1.0]hepta-1,3,5-trien-7-one;3-(dimethylamino)prop-2-enenitrile
CID 174447849
(E)-3-(N,2-dimethylanilino)prop-2-enenitrile
CID 88538395
(E)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylpent-2-enenitrile
CID 101169649
4,4-dimethylpent-2-enenitrile
CID 564983
(E)-4-bromobut-2-enenitrile
CID 11126402
3-methoxyprop-2-enenitrile
CID 2723755
(Z)-4-chlorobut-2-enenitrile
CID 23271284
2-[ethyl(trimethylsilyl)amino]acetonitrile
CID 87072278

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyanoethenyl(trimethylsilyl)amino]prop-2-enenitrile?
The IUPAC name of 3-[2-cyanoethenyl(trimethylsilyl)amino]prop-2-enenitrile (CID 175095303) is 3-[2-cyanoethenyl(trimethylsilyl)amino]prop-2-enenitrile.
What is the SMILES notation for 3-[2-cyanoethenyl(trimethylsilyl)amino]prop-2-enenitrile?
The canonical SMILES for 3-[2-cyanoethenyl(trimethylsilyl)amino]prop-2-enenitrile is C[Si](C)(C)N(C=CC#N)C=CC#N.
What is the InChIKey of 3-[2-cyanoethenyl(trimethylsilyl)amino]prop-2-enenitrile?
The InChIKey is NVNHDAJNQQJEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3Si/c1-13(2,3)12(8-4-6-10)9-5-7-11/h4-5,8-9H,1-3H3.
What are the key properties of 3-[2-cyanoethenyl(trimethylsilyl)amino]prop-2-enenitrile?
3-[2-cyanoethenyl(trimethylsilyl)amino]prop-2-enenitrile has a molecular weight of 191.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanoethenyl(trimethylsilyl)amino]prop-2-enenitrile is sourced from PubChem (CID 175095303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).