4,4,5,5-tetramethyl-N-[(E)-2-phenylethenyl]-1,3-dioxolan-2-imine

C15H19NO2 — CID 101363743

IUPAC4,4,5,5-tetramethyl-N-[(E)-2-phenylethenyl]-1,3-dioxolan-2-imine
SMILESCC1(C)OC(=N/C=C/c2ccccc2)OC1(C)C
InChIInChI=1S/C15H19NO2/c1-14(2)15(3,4)18-13(17-14)16-11-10-12-8-6-5-7-9-12/h5-11H,1-4H3/b11-10+
InChIKeyIFZZCHQDMJBVMZ-ZHACJKMWSA-N
MW245.32 g/mol
LogP3.62
Rot. Bonds2

About 4,4,5,5-tetramethyl-N-[(E)-2-phenylethenyl]-1,3-dioxolan-2-imine

4,4,5,5-tetramethyl-N-[(E)-2-phenylethenyl]-1,3-dioxolan-2-imine (PubChem CID 101363743) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-N-[(E)-2-phenylethenyl]-1,3-dioxolan-2-imine.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-N-[(E)-2-phenylethenyl]-1,3-dioxolan-2-imine
PubChem CID101363743
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4,4,5,5-tetramethyl-N-[(E)-2-phenylethenyl]-1,3-dioxolan-2-imine
SMILESCC1(C)OC(=N/C=C/c2ccccc2)OC1(C)C
InChIInChI=1S/C15H19NO2/c1-14(2)15(3,4)18-13(17-14)16-11-10-12-8-6-5-7-9-12/h5-11H,1-4H3/b11-10+
InChIKeyIFZZCHQDMJBVMZ-ZHACJKMWSA-N
XLogP3.62
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl(2-phenylethenyl)diazene
CID 89273944
N'-(2-phenylethenyl)ethanimidamide
CID 54086557
CID 70567885
CID 70567885
CID 70569152
CID 70569152
4,4,5,5-tetramethyl-2-[(1Z,3E)-4-phenylbuta-1,3-dienyl]-1,3,2-dioxaborolane
CID 100969380
2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole
CID 177393506
N,N-dimethylmethanamine;stilbene
CID 174368184
4,4,5,5-tetramethyl-2-[4-(4-phenylbuta-1,3-dienyl)phenyl]-1,3,2-dioxaborolane
CID 123932763
hydride;rubidium(1+);stilbene
CID 173437843
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
disodium;hydride;(E)-stilbene
CID 173089328

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-N-[(E)-2-phenylethenyl]-1,3-dioxolan-2-imine?
The IUPAC name of 4,4,5,5-tetramethyl-N-[(E)-2-phenylethenyl]-1,3-dioxolan-2-imine (CID 101363743) is 4,4,5,5-tetramethyl-N-[(E)-2-phenylethenyl]-1,3-dioxolan-2-imine.
What is the SMILES notation for 4,4,5,5-tetramethyl-N-[(E)-2-phenylethenyl]-1,3-dioxolan-2-imine?
The canonical SMILES for 4,4,5,5-tetramethyl-N-[(E)-2-phenylethenyl]-1,3-dioxolan-2-imine is CC1(C)OC(=N/C=C/c2ccccc2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-N-[(E)-2-phenylethenyl]-1,3-dioxolan-2-imine?
The InChIKey is IFZZCHQDMJBVMZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H19NO2/c1-14(2)15(3,4)18-13(17-14)16-11-10-12-8-6-5-7-9-12/h5-11H,1-4H3/b11-10+.
What are the key properties of 4,4,5,5-tetramethyl-N-[(E)-2-phenylethenyl]-1,3-dioxolan-2-imine?
4,4,5,5-tetramethyl-N-[(E)-2-phenylethenyl]-1,3-dioxolan-2-imine has a molecular weight of 245.32 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-N-[(E)-2-phenylethenyl]-1,3-dioxolan-2-imine is sourced from PubChem (CID 101363743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).