2-[(4-trimethylsilyloxyphenyl)methylideneamino]acetonitrile

C12H16N2OSi — CID 139658745

IUPAC2-[(4-trimethylsilyloxyphenyl)methylideneamino]acetonitrile
SMILESC[Si](C)(C)Oc1ccc(/C=N/CC#N)cc1
InChIInChI=1S/C12H16N2OSi/c1-16(2,3)15-12-6-4-11(5-7-12)10-14-9-8-13/h4-7,10H,9H2,1-3H3/b14-10+
InChIKeyUZMWLQLJASCSMY-GXDHUFHOSA-N
MW232.36 g/mol
LogP2.84
Rot. Bonds4

About 2-[(4-trimethylsilyloxyphenyl)methylideneamino]acetonitrile

2-[(4-trimethylsilyloxyphenyl)methylideneamino]acetonitrile (PubChem CID 139658745) has the molecular formula C12H16N2OSi and a molecular weight of 232.36 g/mol. Its IUPAC name is 2-[(4-trimethylsilyloxyphenyl)methylideneamino]acetonitrile.

Molecular Properties

Compound Name2-[(4-trimethylsilyloxyphenyl)methylideneamino]acetonitrile
PubChem CID139658745
Molecular FormulaC12H16N2OSi
Molecular Weight232.36 g/mol
Exact Mass232.10
IUPAC Name2-[(4-trimethylsilyloxyphenyl)methylideneamino]acetonitrile
SMILESC[Si](C)(C)Oc1ccc(/C=N/CC#N)cc1
InChIInChI=1S/C12H16N2OSi/c1-16(2,3)15-12-6-4-11(5-7-12)10-14-9-8-13/h4-7,10H,9H2,1-3H3/b14-10+
InChIKeyUZMWLQLJASCSMY-GXDHUFHOSA-N
XLogP2.84
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(4-trimethylsilyloxyphenyl)methylidene]hydroxylamine
CID 11148487
(E)-2-cyano-3-(4-trimethylsilyloxyphenyl)prop-2-enoic acid
CID 178195372
trimethyl-(4-prop-1-enylphenoxy)silane
CID 141363385
trimethyl-[4-[(E)-non-1-enyl]phenoxy]silane
CID 101261790
N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
4-(ethyliminomethyl)benzonitrile
CID 12927009
(4-ethynylphenoxy)-trimethylsilane
CID 139607872
[4-(2-methoxy-2-trimethylsilyloxyethenyl)phenoxy]-trimethylsilane
CID 72961640
1-(4-methoxyphenyl)-N-prop-2-enylmethanimine
CID 11052170
trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane
CID 139887552
4-trimethylsilyloxy-N-(4-trimethylsilyloxyphenyl)aniline
CID 54109170
methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate
CID 5377244

Frequently Asked Questions

What is the IUPAC name of 2-[(4-trimethylsilyloxyphenyl)methylideneamino]acetonitrile?
The IUPAC name of 2-[(4-trimethylsilyloxyphenyl)methylideneamino]acetonitrile (CID 139658745) is 2-[(4-trimethylsilyloxyphenyl)methylideneamino]acetonitrile.
What is the SMILES notation for 2-[(4-trimethylsilyloxyphenyl)methylideneamino]acetonitrile?
The canonical SMILES for 2-[(4-trimethylsilyloxyphenyl)methylideneamino]acetonitrile is C[Si](C)(C)Oc1ccc(/C=N/CC#N)cc1.
What is the InChIKey of 2-[(4-trimethylsilyloxyphenyl)methylideneamino]acetonitrile?
The InChIKey is UZMWLQLJASCSMY-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H16N2OSi/c1-16(2,3)15-12-6-4-11(5-7-12)10-14-9-8-13/h4-7,10H,9H2,1-3H3/b14-10+.
What are the key properties of 2-[(4-trimethylsilyloxyphenyl)methylideneamino]acetonitrile?
2-[(4-trimethylsilyloxyphenyl)methylideneamino]acetonitrile has a molecular weight of 232.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-trimethylsilyloxyphenyl)methylideneamino]acetonitrile is sourced from PubChem (CID 139658745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).