3-prop-1-en-2-yloxysilylpropanenitrile

C6H11NOSi — CID 123926954

IUPAC3-prop-1-en-2-yloxysilylpropanenitrile
SMILESC=C(C)O[SiH2]CCC#N
InChIInChI=1S/C6H11NOSi/c1-6(2)8-9-5-3-4-7/h1,3,5,9H2,2H3
InChIKeyMRDPQONVXRVZJY-UHFFFAOYSA-N
MW141.25 g/mol
LogP0.95
Rot. Bonds4

About 3-prop-1-en-2-yloxysilylpropanenitrile

3-prop-1-en-2-yloxysilylpropanenitrile (PubChem CID 123926954) has the molecular formula C6H11NOSi and a molecular weight of 141.25 g/mol. Its IUPAC name is 3-prop-1-en-2-yloxysilylpropanenitrile.

Molecular Properties

Compound Name3-prop-1-en-2-yloxysilylpropanenitrile
PubChem CID123926954
Molecular FormulaC6H11NOSi
Molecular Weight141.25 g/mol
Exact Mass141.06
IUPAC Name3-prop-1-en-2-yloxysilylpropanenitrile
SMILESC=C(C)O[SiH2]CCC#N
InChIInChI=1S/C6H11NOSi/c1-6(2)8-9-5-3-4-7/h1,3,5,9H2,2H3
InChIKeyMRDPQONVXRVZJY-UHFFFAOYSA-N
XLogP0.95
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

prop-1-en-2-yloxy(propyl)silane
CID 151988829
3-ethoxysilylpropanenitrile
CID 149437387
3-(dichloromethoxysilyl)propanenitrile
CID 154498962
4,4,6-trimethylhept-6-enenitrile
CID 163774167
3-(1,2-dichloroethoxysilyl)propanenitrile
CID 175461131
2-hydroxy-2-methylpentanedinitrile
CID 23346026
3-(diethoxymethylsilyl)propanenitrile
CID 154197522
2,2-dimethylpentanedinitrile
CID 19809777
3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile
CID 63286745
2-cyanoethyl 2-methylprop-2-enoate;3-cyanopropanoic acid
CID 174752045
2-cyanoethyl acetate;ethane
CID 145130643
3-(hydroxyamino)oxypropanenitrile
CID 156648374

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yloxysilylpropanenitrile?
The IUPAC name of 3-prop-1-en-2-yloxysilylpropanenitrile (CID 123926954) is 3-prop-1-en-2-yloxysilylpropanenitrile.
What is the SMILES notation for 3-prop-1-en-2-yloxysilylpropanenitrile?
The canonical SMILES for 3-prop-1-en-2-yloxysilylpropanenitrile is C=C(C)O[SiH2]CCC#N.
What is the InChIKey of 3-prop-1-en-2-yloxysilylpropanenitrile?
The InChIKey is MRDPQONVXRVZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOSi/c1-6(2)8-9-5-3-4-7/h1,3,5,9H2,2H3.
What are the key properties of 3-prop-1-en-2-yloxysilylpropanenitrile?
3-prop-1-en-2-yloxysilylpropanenitrile has a molecular weight of 141.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yloxysilylpropanenitrile is sourced from PubChem (CID 123926954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).