N-[1-(furan-3-yl)but-3-enyl]aniline

C14H15NO — CID 24878771

IUPACN-[1-(furan-3-yl)but-3-enyl]aniline
SMILESC=CCC(Nc1ccccc1)c1ccoc1
InChIInChI=1S/C14H15NO/c1-2-6-14(12-9-10-16-11-12)15-13-7-4-3-5-8-13/h2-5,7-11,14-15H,1,6H2
InChIKeyHAHWAGZAARNHOJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP4.01
Rot. Bonds5

About N-[1-(furan-3-yl)but-3-enyl]aniline

N-[1-(furan-3-yl)but-3-enyl]aniline (PubChem CID 24878771) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[1-(furan-3-yl)but-3-enyl]aniline.

Molecular Properties

Compound NameN-[1-(furan-3-yl)but-3-enyl]aniline
PubChem CID24878771
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-[1-(furan-3-yl)but-3-enyl]aniline
SMILESC=CCC(Nc1ccccc1)c1ccoc1
InChIInChI=1S/C14H15NO/c1-2-6-14(12-9-10-16-11-12)15-13-7-4-3-5-8-13/h2-5,7-11,14-15H,1,6H2
InChIKeyHAHWAGZAARNHOJ-UHFFFAOYSA-N
XLogP4.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-yl)but-3-enyl]aniline?
The IUPAC name of N-[1-(furan-3-yl)but-3-enyl]aniline (CID 24878771) is N-[1-(furan-3-yl)but-3-enyl]aniline.
What is the SMILES notation for N-[1-(furan-3-yl)but-3-enyl]aniline?
The canonical SMILES for N-[1-(furan-3-yl)but-3-enyl]aniline is C=CCC(Nc1ccccc1)c1ccoc1.
What is the InChIKey of N-[1-(furan-3-yl)but-3-enyl]aniline?
The InChIKey is HAHWAGZAARNHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-6-14(12-9-10-16-11-12)15-13-7-4-3-5-8-13/h2-5,7-11,14-15H,1,6H2.
What are the key properties of N-[1-(furan-3-yl)but-3-enyl]aniline?
N-[1-(furan-3-yl)but-3-enyl]aniline has a molecular weight of 213.28 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-yl)but-3-enyl]aniline is sourced from PubChem (CID 24878771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).