4-[(E)-2-(furan-2-yl)ethenyl]-N,N-dimethylaniline

C14H15NO — CID 11820532

IUPAC4-[(E)-2-(furan-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccco2)cc1
InChIInChI=1S/C14H15NO/c1-15(2)13-8-5-12(6-9-13)7-10-14-4-3-11-16-14/h3-11H,1-2H3/b10-7+
InChIKeyWMYSIUJZYMYUPF-JXMROGBWSA-N
MW213.28 g/mol
LogP3.52
Rot. Bonds3

About 4-[(E)-2-(furan-2-yl)ethenyl]-N,N-dimethylaniline

4-[(E)-2-(furan-2-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 11820532) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-[(E)-2-(furan-2-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(furan-2-yl)ethenyl]-N,N-dimethylaniline
PubChem CID11820532
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name4-[(E)-2-(furan-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccco2)cc1
InChIInChI=1S/C14H15NO/c1-15(2)13-8-5-12(6-9-13)7-10-14-4-3-11-16-14/h3-11H,1-2H3/b10-7+
InChIKeyWMYSIUJZYMYUPF-JXMROGBWSA-N
XLogP3.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(furan-2-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(furan-2-yl)ethenyl]-N,N-dimethylaniline (CID 11820532) is 4-[(E)-2-(furan-2-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(furan-2-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(furan-2-yl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2ccco2)cc1.
What is the InChIKey of 4-[(E)-2-(furan-2-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is WMYSIUJZYMYUPF-JXMROGBWSA-N. The full InChI is InChI=1S/C14H15NO/c1-15(2)13-8-5-12(6-9-13)7-10-14-4-3-11-16-14/h3-11H,1-2H3/b10-7+.
What are the key properties of 4-[(E)-2-(furan-2-yl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(furan-2-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 213.28 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(furan-2-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 11820532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).