N-[4-(furan-2-yl)but-1-en-2-yl]aniline

C14H15NO — CID 89186730

IUPACN-[4-(furan-2-yl)but-1-en-2-yl]aniline
SMILESC=C(CCc1ccco1)Nc1ccccc1
InChIInChI=1S/C14H15NO/c1-12(9-10-14-8-5-11-16-14)15-13-6-3-2-4-7-13/h2-8,11,15H,1,9-10H2
InChIKeyHWCVTBOCRZXASQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.84
Rot. Bonds5

About N-[4-(furan-2-yl)but-1-en-2-yl]aniline

N-[4-(furan-2-yl)but-1-en-2-yl]aniline (PubChem CID 89186730) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[4-(furan-2-yl)but-1-en-2-yl]aniline.

Molecular Properties

Compound NameN-[4-(furan-2-yl)but-1-en-2-yl]aniline
PubChem CID89186730
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-[4-(furan-2-yl)but-1-en-2-yl]aniline
SMILESC=C(CCc1ccco1)Nc1ccccc1
InChIInChI=1S/C14H15NO/c1-12(9-10-14-8-5-11-16-14)15-13-6-3-2-4-7-13/h2-8,11,15H,1,9-10H2
InChIKeyHWCVTBOCRZXASQ-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)but-1-en-2-yl]aniline?
The IUPAC name of N-[4-(furan-2-yl)but-1-en-2-yl]aniline (CID 89186730) is N-[4-(furan-2-yl)but-1-en-2-yl]aniline.
What is the SMILES notation for N-[4-(furan-2-yl)but-1-en-2-yl]aniline?
The canonical SMILES for N-[4-(furan-2-yl)but-1-en-2-yl]aniline is C=C(CCc1ccco1)Nc1ccccc1.
What is the InChIKey of N-[4-(furan-2-yl)but-1-en-2-yl]aniline?
The InChIKey is HWCVTBOCRZXASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-12(9-10-14-8-5-11-16-14)15-13-6-3-2-4-7-13/h2-8,11,15H,1,9-10H2.
What are the key properties of N-[4-(furan-2-yl)but-1-en-2-yl]aniline?
N-[4-(furan-2-yl)but-1-en-2-yl]aniline has a molecular weight of 213.28 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)but-1-en-2-yl]aniline is sourced from PubChem (CID 89186730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).