furan-3-carbonyl(trimethyl)azanium

C8H12NO2+ — CID 91080420

IUPACfuran-3-carbonyl(trimethyl)azanium
SMILESC[N+](C)(C)C(=O)c1ccoc1
InChIInChI=1S/C8H12NO2/c1-9(2,3)8(10)7-4-5-11-6-7/h4-6H,1-3H3/q+1
InChIKeyHJLBVCMJADQAMD-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.13
Rot. Bonds1

About furan-3-carbonyl(trimethyl)azanium

furan-3-carbonyl(trimethyl)azanium (PubChem CID 91080420) has the molecular formula C8H12NO2+ and a molecular weight of 154.19 g/mol. Its IUPAC name is furan-3-carbonyl(trimethyl)azanium.

Molecular Properties

Compound Namefuran-3-carbonyl(trimethyl)azanium
PubChem CID91080420
Molecular FormulaC8H12NO2+
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Namefuran-3-carbonyl(trimethyl)azanium
SMILESC[N+](C)(C)C(=O)c1ccoc1
InChIInChI=1S/C8H12NO2/c1-9(2,3)8(10)7-4-5-11-6-7/h4-6H,1-3H3/q+1
InChIKeyHJLBVCMJADQAMD-UHFFFAOYSA-N
XLogP1.13
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(furan-3-yl)ethanone;methane
CID 145092753
furan-3-carboxylic acid;dihydrochloride
CID 141114987
azanium furan-3-carboxylate
CID 176901239
1-(furan-3-yl)-2-hydroxy-2-methylpropan-1-one
CID 15504484
1,4-dioxocine-6-carbonyl chloride
CID 12857464
N-methoxyfuran-3-carboxamide
CID 60701103
N-chlorofuran-3-carboxamide
CID 144607311
1-(furan-3-yl)-2-methylsulfonylethanone
CID 115622052
1-(furan-3-yl)-3-methylbut-3-en-1-one
CID 79178014
3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one
CID 116573777
furan-3-yl-(5-methylfuran-3-yl)methanone
CID 114971729
N-butyl-N-methylfuran-3-carboxamide
CID 110855744

Frequently Asked Questions

What is the IUPAC name of furan-3-carbonyl(trimethyl)azanium?
The IUPAC name of furan-3-carbonyl(trimethyl)azanium (CID 91080420) is furan-3-carbonyl(trimethyl)azanium.
What is the SMILES notation for furan-3-carbonyl(trimethyl)azanium?
The canonical SMILES for furan-3-carbonyl(trimethyl)azanium is C[N+](C)(C)C(=O)c1ccoc1.
What is the InChIKey of furan-3-carbonyl(trimethyl)azanium?
The InChIKey is HJLBVCMJADQAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO2/c1-9(2,3)8(10)7-4-5-11-6-7/h4-6H,1-3H3/q+1.
What are the key properties of furan-3-carbonyl(trimethyl)azanium?
furan-3-carbonyl(trimethyl)azanium has a molecular weight of 154.19 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-carbonyl(trimethyl)azanium is sourced from PubChem (CID 91080420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).