[5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine

C10H15NO2 — CID 62442483

IUPAC[5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine
SMILESC=CCOCc1cc(CN)oc1C
InChIInChI=1S/C10H15NO2/c1-3-4-12-7-9-5-10(6-11)13-8(9)2/h3,5H,1,4,6-7,11H2,2H3
InChIKeyOLVGKEMEHXPAAO-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.75
Rot. Bonds5

About [5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine

[5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine (PubChem CID 62442483) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is [5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine
PubChem CID62442483
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name[5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine
SMILESC=CCOCc1cc(CN)oc1C
InChIInChI=1S/C10H15NO2/c1-3-4-12-7-9-5-10(6-11)13-8(9)2/h3,5H,1,4,6-7,11H2,2H3
InChIKeyOLVGKEMEHXPAAO-UHFFFAOYSA-N
XLogP1.75
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.75
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-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine (CID 62442483) is [5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine is C=CCOCc1cc(CN)oc1C.
What is the InChIKey of [5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine?
The InChIKey is OLVGKEMEHXPAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-4-12-7-9-5-10(6-11)13-8(9)2/h3,5H,1,4,6-7,11H2,2H3.
What are the key properties of [5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine?
[5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine has a molecular weight of 181.23 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62442483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).