4-[(E)-4-(furan-2-yl)but-3-en-2-yl]-N,N-dimethylaniline

C16H19NO — CID 132554295

IUPAC4-[(E)-4-(furan-2-yl)but-3-en-2-yl]-N,N-dimethylaniline
SMILESCC(/C=C/c1ccco1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H19NO/c1-13(6-11-16-5-4-12-18-16)14-7-9-15(10-8-14)17(2)3/h4-13H,1-3H3/b11-6+
InChIKeyWJFWPULLUUUSSE-IZZDOVSWSA-N
MW241.33 g/mol
LogP4.16
Rot. Bonds4

About 4-[(E)-4-(furan-2-yl)but-3-en-2-yl]-N,N-dimethylaniline

4-[(E)-4-(furan-2-yl)but-3-en-2-yl]-N,N-dimethylaniline (PubChem CID 132554295) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(E)-4-(furan-2-yl)but-3-en-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-4-(furan-2-yl)but-3-en-2-yl]-N,N-dimethylaniline
PubChem CID132554295
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-[(E)-4-(furan-2-yl)but-3-en-2-yl]-N,N-dimethylaniline
SMILESCC(/C=C/c1ccco1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H19NO/c1-13(6-11-16-5-4-12-18-16)14-7-9-15(10-8-14)17(2)3/h4-13H,1-3H3/b11-6+
InChIKeyWJFWPULLUUUSSE-IZZDOVSWSA-N
XLogP4.16
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-(furan-2-yl)but-3-en-2-ol
CID 131876668
2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan
CID 100992434
1-[(E)-4-(furan-2-yl)but-3-en-2-yl]-1-hydroxyurea
CID 10726535
2-[(E)-2-bromoethenyl]furan
CID 10899150
[4-[4-(dimethylamino)phenyl]cyclohexa-2,5-dien-1-ylidene]-ethyl-[3-(furan-2-yl)prop-2-enyl]azanium
CID 91471711
2-nona-1,3,5,7-tetraenylfuran
CID 173428871
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
4-[6-[(Z)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline
CID 92946530
2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 45109657
(E,2S)-2-ethyl-4-(furan-2-yl)but-3-enoic acid
CID 138963796
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
2-[(Z)-2-chloroethenyl]furan
CID 11389398

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-(furan-2-yl)but-3-en-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-4-(furan-2-yl)but-3-en-2-yl]-N,N-dimethylaniline (CID 132554295) is 4-[(E)-4-(furan-2-yl)but-3-en-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-4-(furan-2-yl)but-3-en-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-4-(furan-2-yl)but-3-en-2-yl]-N,N-dimethylaniline is CC(/C=C/c1ccco1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(E)-4-(furan-2-yl)but-3-en-2-yl]-N,N-dimethylaniline?
The InChIKey is WJFWPULLUUUSSE-IZZDOVSWSA-N. The full InChI is InChI=1S/C16H19NO/c1-13(6-11-16-5-4-12-18-16)14-7-9-15(10-8-14)17(2)3/h4-13H,1-3H3/b11-6+.
What are the key properties of 4-[(E)-4-(furan-2-yl)but-3-en-2-yl]-N,N-dimethylaniline?
4-[(E)-4-(furan-2-yl)but-3-en-2-yl]-N,N-dimethylaniline has a molecular weight of 241.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-(furan-2-yl)but-3-en-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 132554295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).