(Z)-2-(aminomethyl)-3-[4-(trimethylsilylmethoxy)phenyl]prop-2-enamide

C14H22N2O2Si — CID 163651087

IUPAC(Z)-2-(aminomethyl)-3-[4-(trimethylsilylmethoxy)phenyl]prop-2-enamide
SMILESC[Si](C)(C)COc1ccc(/C=C(/CN)C(N)=O)cc1
InChIInChI=1S/C14H22N2O2Si/c1-19(2,3)10-18-13-6-4-11(5-7-13)8-12(9-15)14(16)17/h4-8H,9-10,15H2,1-3H3,(H2,16,17)/b12-8-
InChIKeyIMHKECIXWYMKEV-WQLSENKSSA-N
MW278.43 g/mol
LogP1.77
Rot. Bonds6

About (Z)-2-(aminomethyl)-3-[4-(trimethylsilylmethoxy)phenyl]prop-2-enamide

(Z)-2-(aminomethyl)-3-[4-(trimethylsilylmethoxy)phenyl]prop-2-enamide (PubChem CID 163651087) has the molecular formula C14H22N2O2Si and a molecular weight of 278.43 g/mol. Its IUPAC name is (Z)-2-(aminomethyl)-3-[4-(trimethylsilylmethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-(aminomethyl)-3-[4-(trimethylsilylmethoxy)phenyl]prop-2-enamide
PubChem CID163651087
Molecular FormulaC14H22N2O2Si
Molecular Weight278.43 g/mol
Exact Mass278.15
IUPAC Name(Z)-2-(aminomethyl)-3-[4-(trimethylsilylmethoxy)phenyl]prop-2-enamide
SMILESC[Si](C)(C)COc1ccc(/C=C(/CN)C(N)=O)cc1
InChIInChI=1S/C14H22N2O2Si/c1-19(2,3)10-18-13-6-4-11(5-7-13)8-12(9-15)14(16)17/h4-8H,9-10,15H2,1-3H3,(H2,16,17)/b12-8-
InChIKeyIMHKECIXWYMKEV-WQLSENKSSA-N
XLogP1.77
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(aminomethyl)-3-[4-(trimethylsilylmethoxy)phenyl]prop-2-enamide?
The IUPAC name of (Z)-2-(aminomethyl)-3-[4-(trimethylsilylmethoxy)phenyl]prop-2-enamide (CID 163651087) is (Z)-2-(aminomethyl)-3-[4-(trimethylsilylmethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-(aminomethyl)-3-[4-(trimethylsilylmethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2-(aminomethyl)-3-[4-(trimethylsilylmethoxy)phenyl]prop-2-enamide is C[Si](C)(C)COc1ccc(/C=C(/CN)C(N)=O)cc1.
What is the InChIKey of (Z)-2-(aminomethyl)-3-[4-(trimethylsilylmethoxy)phenyl]prop-2-enamide?
The InChIKey is IMHKECIXWYMKEV-WQLSENKSSA-N. The full InChI is InChI=1S/C14H22N2O2Si/c1-19(2,3)10-18-13-6-4-11(5-7-13)8-12(9-15)14(16)17/h4-8H,9-10,15H2,1-3H3,(H2,16,17)/b12-8-.
What are the key properties of (Z)-2-(aminomethyl)-3-[4-(trimethylsilylmethoxy)phenyl]prop-2-enamide?
(Z)-2-(aminomethyl)-3-[4-(trimethylsilylmethoxy)phenyl]prop-2-enamide has a molecular weight of 278.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(aminomethyl)-3-[4-(trimethylsilylmethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 163651087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).