(1-methoxy-1-oxopropan-2-ylidene)-dimethylazanium

C6H12NO2+ — CID 90944405

IUPAC(1-methoxy-1-oxopropan-2-ylidene)-dimethylazanium
SMILESCOC(=O)C(C)=[N+](C)C
InChIInChI=1S/C6H12NO2/c1-5(7(2)3)6(8)9-4/h1-4H3/q+1
InChIKeyKWWOYJBFVMGMRX-UHFFFAOYSA-N
MW130.17 g/mol
LogP-0.11
Rot. Bonds1

About (1-methoxy-1-oxopropan-2-ylidene)-dimethylazanium

(1-methoxy-1-oxopropan-2-ylidene)-dimethylazanium (PubChem CID 90944405) has the molecular formula C6H12NO2+ and a molecular weight of 130.17 g/mol. Its IUPAC name is (1-methoxy-1-oxopropan-2-ylidene)-dimethylazanium.

Molecular Properties

Compound Name(1-methoxy-1-oxopropan-2-ylidene)-dimethylazanium
PubChem CID90944405
Molecular FormulaC6H12NO2+
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(1-methoxy-1-oxopropan-2-ylidene)-dimethylazanium
SMILESCOC(=O)C(C)=[N+](C)C
InChIInChI=1S/C6H12NO2/c1-5(7(2)3)6(8)9-4/h1-4H3/q+1
InChIKeyKWWOYJBFVMGMRX-UHFFFAOYSA-N
XLogP-0.11
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (1-methoxy-1-oxopropan-2-ylidene)-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-5-oxazolone
CID 85557692
Methyl 2-methyliminopropanoate
CID 18322602
Ethyl 2-methyliminopropanoate
CID 20717755
Methyl 2-methyliminobutanoate
CID 20717772
Ethyl 2-ethyliminopropanoate
CID 57041047
Methyl 2-methoxycarbonyliminopropanoate
CID 57054474
Methyl 2-ethyliminopropanoate
CID 91459529
Ethane;methyl 2-methyliminopropanoate
CID 158274889
2-Methyliminopropyl acetate
CID 164009590
1-methoxy-N-methyl-1-oxopropan-2-imine oxide
CID 11116100

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-1-oxopropan-2-ylidene)-dimethylazanium?
The IUPAC name of (1-methoxy-1-oxopropan-2-ylidene)-dimethylazanium (CID 90944405) is (1-methoxy-1-oxopropan-2-ylidene)-dimethylazanium.
What is the SMILES notation for (1-methoxy-1-oxopropan-2-ylidene)-dimethylazanium?
The canonical SMILES for (1-methoxy-1-oxopropan-2-ylidene)-dimethylazanium is COC(=O)C(C)=[N+](C)C.
What is the InChIKey of (1-methoxy-1-oxopropan-2-ylidene)-dimethylazanium?
The InChIKey is KWWOYJBFVMGMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO2/c1-5(7(2)3)6(8)9-4/h1-4H3/q+1.
What are the key properties of (1-methoxy-1-oxopropan-2-ylidene)-dimethylazanium?
(1-methoxy-1-oxopropan-2-ylidene)-dimethylazanium has a molecular weight of 130.17 g/mol, XLogP of -0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1-oxopropan-2-ylidene)-dimethylazanium is sourced from PubChem (CID 90944405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).