dimethoxy-methyl-(2-methylaziridine-1-carbonyl)azanium

C7H15N2O3+ — CID 87510218

IUPACdimethoxy-methyl-(2-methylaziridine-1-carbonyl)azanium
SMILESCO[N+](C)(OC)C(=O)N1CC1C
InChIInChI=1S/C7H15N2O3/c1-6-5-8(6)7(10)9(2,11-3)12-4/h6H,5H2,1-4H3/q+1
InChIKeyCKFFQAQMBJHDCO-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.38
Rot. Bonds2

About dimethoxy-methyl-(2-methylaziridine-1-carbonyl)azanium

dimethoxy-methyl-(2-methylaziridine-1-carbonyl)azanium (PubChem CID 87510218) has the molecular formula C7H15N2O3+ and a molecular weight of 175.21 g/mol. Its IUPAC name is dimethoxy-methyl-(2-methylaziridine-1-carbonyl)azanium.

Molecular Properties

Compound Namedimethoxy-methyl-(2-methylaziridine-1-carbonyl)azanium
PubChem CID87510218
Molecular FormulaC7H15N2O3+
Molecular Weight175.21 g/mol
Exact Mass175.11
IUPAC Namedimethoxy-methyl-(2-methylaziridine-1-carbonyl)azanium
SMILESCO[N+](C)(OC)C(=O)N1CC1C
InChIInChI=1S/C7H15N2O3/c1-6-5-8(6)7(10)9(2,11-3)12-4/h6H,5H2,1-4H3/q+1
InChIKeyCKFFQAQMBJHDCO-UHFFFAOYSA-N
XLogP0.38
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-methyl-(2-methylaziridine-1-carbonyl)azanium?
The IUPAC name of dimethoxy-methyl-(2-methylaziridine-1-carbonyl)azanium (CID 87510218) is dimethoxy-methyl-(2-methylaziridine-1-carbonyl)azanium.
What is the SMILES notation for dimethoxy-methyl-(2-methylaziridine-1-carbonyl)azanium?
The canonical SMILES for dimethoxy-methyl-(2-methylaziridine-1-carbonyl)azanium is CO[N+](C)(OC)C(=O)N1CC1C.
What is the InChIKey of dimethoxy-methyl-(2-methylaziridine-1-carbonyl)azanium?
The InChIKey is CKFFQAQMBJHDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O3/c1-6-5-8(6)7(10)9(2,11-3)12-4/h6H,5H2,1-4H3/q+1.
What are the key properties of dimethoxy-methyl-(2-methylaziridine-1-carbonyl)azanium?
dimethoxy-methyl-(2-methylaziridine-1-carbonyl)azanium has a molecular weight of 175.21 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-methyl-(2-methylaziridine-1-carbonyl)azanium is sourced from PubChem (CID 87510218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).