furan-2-ylmethyl(trimethyl)azanium

C8H14NO+ — CID 10938

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IUPACfuran-2-ylmethyl(trimethyl)azanium
SMILESC[N+](C)(C)Cc1ccco1
InChIInChI=1S/C8H14NO/c1-9(2,3)7-8-5-4-6-10-8/h4-6H,7H2,1-3H3/q+1
InChIKeyHEDXEAAVEOJUCR-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.49
Rot. Bonds2

About furan-2-ylmethyl(trimethyl)azanium

furan-2-ylmethyl(trimethyl)azanium (PubChem CID 10938) has the molecular formula C8H14NO+ and a molecular weight of 140.21 g/mol. Its IUPAC name is furan-2-ylmethyl(trimethyl)azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl(trimethyl)azanium
PubChem CID10938
Molecular FormulaC8H14NO+
Molecular Weight140.21 g/mol
Exact Mass140.11
IUPAC Namefuran-2-ylmethyl(trimethyl)azanium
SMILESC[N+](C)(C)Cc1ccco1
InChIInChI=1S/C8H14NO/c1-9(2,3)7-8-5-4-6-10-8/h4-6H,7H2,1-3H3/q+1
InChIKeyHEDXEAAVEOJUCR-UHFFFAOYSA-N
XLogP1.49
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Furfurylamine
CID 3438
Furfenorex
CID 26762
4-Acetyl 1-(2-furoyl)piperazine
CID 565340
2-Furanmethanaminium, N,N,N-trimethyl-, iodide (1:1)
CID 10937
5-Methylfurtrethonium
CID 4141
5-(2-Furylmethyl)-1,3,5-triazinane-2-thione
CID 929663
2-Furanmethanaminium, N,N,N,5-tetramethyl-, iodide (1:1)
CID 70973
[(Furan-2-yl)methyl]urea
CID 587724
N-(2-Furoyl)glycine methyl ester
CID 518748
N-Methylfurfurylamine
CID 78492
1-[(5-Methyl-2-furanyl)methyl]pyrrolidine
CID 529066
1-Furfurylpyrrolidine
CID 3768984

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl(trimethyl)azanium?
The IUPAC name of furan-2-ylmethyl(trimethyl)azanium (CID 10938) is furan-2-ylmethyl(trimethyl)azanium.
What is the SMILES notation for furan-2-ylmethyl(trimethyl)azanium?
The canonical SMILES for furan-2-ylmethyl(trimethyl)azanium is C[N+](C)(C)Cc1ccco1.
What is the InChIKey of furan-2-ylmethyl(trimethyl)azanium?
The InChIKey is HEDXEAAVEOJUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO/c1-9(2,3)7-8-5-4-6-10-8/h4-6H,7H2,1-3H3/q+1.
What are the key properties of furan-2-ylmethyl(trimethyl)azanium?
furan-2-ylmethyl(trimethyl)azanium has a molecular weight of 140.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl(trimethyl)azanium is sourced from PubChem (CID 10938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).