4-(furan-2-yl)but-2-en-1-amine

C8H11NO — CID 70478448

IUPAC4-(furan-2-yl)but-2-en-1-amine
SMILESNCC=CCc1ccco1
InChIInChI=1S/C8H11NO/c9-6-2-1-4-8-5-3-7-10-8/h1-3,5,7H,4,6,9H2
InChIKeyASGDHDHYMDZBSV-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.34
Rot. Bonds3

About 4-(furan-2-yl)but-2-en-1-amine

4-(furan-2-yl)but-2-en-1-amine (PubChem CID 70478448) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4-(furan-2-yl)but-2-en-1-amine.

Molecular Properties

Compound Name4-(furan-2-yl)but-2-en-1-amine
PubChem CID70478448
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4-(furan-2-yl)but-2-en-1-amine
SMILESNCC=CCc1ccco1
InChIInChI=1S/C8H11NO/c9-6-2-1-4-8-5-3-7-10-8/h1-3,5,7H,4,6,9H2
InChIKeyASGDHDHYMDZBSV-UHFFFAOYSA-N
XLogP1.34
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.34
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 4-(furan-2-yl)but-2-en-1-amine?
The IUPAC name of 4-(furan-2-yl)but-2-en-1-amine (CID 70478448) is 4-(furan-2-yl)but-2-en-1-amine.
What is the SMILES notation for 4-(furan-2-yl)but-2-en-1-amine?
The canonical SMILES for 4-(furan-2-yl)but-2-en-1-amine is NCC=CCc1ccco1.
What is the InChIKey of 4-(furan-2-yl)but-2-en-1-amine?
The InChIKey is ASGDHDHYMDZBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c9-6-2-1-4-8-5-3-7-10-8/h1-3,5,7H,4,6,9H2.
What are the key properties of 4-(furan-2-yl)but-2-en-1-amine?
4-(furan-2-yl)but-2-en-1-amine has a molecular weight of 137.18 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)but-2-en-1-amine is sourced from PubChem (CID 70478448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).