(E)-3-(5-aminofuran-2-yl)prop-2-enal

C7H7NO2 — CID 119094609

IUPAC(E)-3-(5-aminofuran-2-yl)prop-2-enal
SMILESNc1ccc(/C=C/C=O)o1
InChIInChI=1S/C7H7NO2/c8-7-4-3-6(10-7)2-1-5-9/h1-5H,8H2/b2-1+
InChIKeyXDPCTWIRISVEMD-OWOJBTEDSA-N
MW137.14 g/mol
LogP1.07
Rot. Bonds2

About (E)-3-(5-aminofuran-2-yl)prop-2-enal

(E)-3-(5-aminofuran-2-yl)prop-2-enal (PubChem CID 119094609) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is (E)-3-(5-aminofuran-2-yl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(5-aminofuran-2-yl)prop-2-enal
PubChem CID119094609
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name(E)-3-(5-aminofuran-2-yl)prop-2-enal
SMILESNc1ccc(/C=C/C=O)o1
InChIInChI=1S/C7H7NO2/c8-7-4-3-6(10-7)2-1-5-9/h1-5H,8H2/b2-1+
InChIKeyXDPCTWIRISVEMD-OWOJBTEDSA-N
XLogP1.07
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-aminofuran-2-yl)prop-2-enal?
The IUPAC name of (E)-3-(5-aminofuran-2-yl)prop-2-enal (CID 119094609) is (E)-3-(5-aminofuran-2-yl)prop-2-enal.
What is the SMILES notation for (E)-3-(5-aminofuran-2-yl)prop-2-enal?
The canonical SMILES for (E)-3-(5-aminofuran-2-yl)prop-2-enal is Nc1ccc(/C=C/C=O)o1.
What is the InChIKey of (E)-3-(5-aminofuran-2-yl)prop-2-enal?
The InChIKey is XDPCTWIRISVEMD-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H7NO2/c8-7-4-3-6(10-7)2-1-5-9/h1-5H,8H2/b2-1+.
What are the key properties of (E)-3-(5-aminofuran-2-yl)prop-2-enal?
(E)-3-(5-aminofuran-2-yl)prop-2-enal has a molecular weight of 137.14 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-aminofuran-2-yl)prop-2-enal is sourced from PubChem (CID 119094609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).