[5-(but-3-enoxymethyl)furan-2-yl]methanamine

C10H15NO2 — CID 62440744

IUPAC[5-(but-3-enoxymethyl)furan-2-yl]methanamine
SMILESC=CCCOCc1ccc(CN)o1
InChIInChI=1S/C10H15NO2/c1-2-3-6-12-8-10-5-4-9(7-11)13-10/h2,4-5H,1,3,6-8,11H2
InChIKeyZCXWEMNQOJFEOA-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.83
Rot. Bonds6

About [5-(but-3-enoxymethyl)furan-2-yl]methanamine

[5-(but-3-enoxymethyl)furan-2-yl]methanamine (PubChem CID 62440744) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is [5-(but-3-enoxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(but-3-enoxymethyl)furan-2-yl]methanamine
PubChem CID62440744
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name[5-(but-3-enoxymethyl)furan-2-yl]methanamine
SMILESC=CCCOCc1ccc(CN)o1
InChIInChI=1S/C10H15NO2/c1-2-3-6-12-8-10-5-4-9(7-11)13-10/h2,4-5H,1,3,6-8,11H2
InChIKeyZCXWEMNQOJFEOA-UHFFFAOYSA-N
XLogP1.83
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(but-3-enoxymethyl)furan-2-yl]methanamine?
The IUPAC name of [5-(but-3-enoxymethyl)furan-2-yl]methanamine (CID 62440744) is [5-(but-3-enoxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(but-3-enoxymethyl)furan-2-yl]methanamine?
The canonical SMILES for [5-(but-3-enoxymethyl)furan-2-yl]methanamine is C=CCCOCc1ccc(CN)o1.
What is the InChIKey of [5-(but-3-enoxymethyl)furan-2-yl]methanamine?
The InChIKey is ZCXWEMNQOJFEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-6-12-8-10-5-4-9(7-11)13-10/h2,4-5H,1,3,6-8,11H2.
What are the key properties of [5-(but-3-enoxymethyl)furan-2-yl]methanamine?
[5-(but-3-enoxymethyl)furan-2-yl]methanamine has a molecular weight of 181.23 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(but-3-enoxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62440744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).