3-methoxyprop-2-enylidene(dimethyl)azanium

C6H12NO+ — CID 54449917

IUPAC3-methoxyprop-2-enylidene(dimethyl)azanium
SMILESCOC=CC=[N+](C)C
InChIInChI=1S/C6H12NO/c1-7(2)5-4-6-8-3/h4-6H,1-3H3/q+1
InChIKeyWUFDITFAZNQDEL-UHFFFAOYSA-N
MW114.17 g/mol
LogP0.49
Rot. Bonds2

About 3-methoxyprop-2-enylidene(dimethyl)azanium

3-methoxyprop-2-enylidene(dimethyl)azanium (PubChem CID 54449917) has the molecular formula C6H12NO+ and a molecular weight of 114.17 g/mol. Its IUPAC name is 3-methoxyprop-2-enylidene(dimethyl)azanium.

Molecular Properties

Compound Name3-methoxyprop-2-enylidene(dimethyl)azanium
PubChem CID54449917
Molecular FormulaC6H12NO+
Molecular Weight114.17 g/mol
Exact Mass114.09
IUPAC Name3-methoxyprop-2-enylidene(dimethyl)azanium
SMILESCOC=CC=[N+](C)C
InChIInChI=1S/C6H12NO/c1-7(2)5-4-6-8-3/h4-6H,1-3H3/q+1
InChIKeyWUFDITFAZNQDEL-UHFFFAOYSA-N
XLogP0.49
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxyprop-2-enylidene(dimethyl)azanium?
The IUPAC name of 3-methoxyprop-2-enylidene(dimethyl)azanium (CID 54449917) is 3-methoxyprop-2-enylidene(dimethyl)azanium.
What is the SMILES notation for 3-methoxyprop-2-enylidene(dimethyl)azanium?
The canonical SMILES for 3-methoxyprop-2-enylidene(dimethyl)azanium is COC=CC=[N+](C)C.
What is the InChIKey of 3-methoxyprop-2-enylidene(dimethyl)azanium?
The InChIKey is WUFDITFAZNQDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO/c1-7(2)5-4-6-8-3/h4-6H,1-3H3/q+1.
What are the key properties of 3-methoxyprop-2-enylidene(dimethyl)azanium?
3-methoxyprop-2-enylidene(dimethyl)azanium has a molecular weight of 114.17 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyprop-2-enylidene(dimethyl)azanium is sourced from PubChem (CID 54449917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).