methanidyl(oxetan-3-ylmethyl)azanium

C5H11NO — CID 155624703

IUPACmethanidyl(oxetan-3-ylmethyl)azanium
SMILES[CH2-][NH2+]CC1COC1
InChIInChI=1S/C5H11NO/c1-6-2-5-3-7-4-5/h5H,1-4,6H2
InChIKeyQHRRWUBYAIWXNX-UHFFFAOYSA-N
MW101.15 g/mol
LogP-1.01
Rot. Bonds2

About methanidyl(oxetan-3-ylmethyl)azanium

methanidyl(oxetan-3-ylmethyl)azanium (PubChem CID 155624703) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is methanidyl(oxetan-3-ylmethyl)azanium.

Molecular Properties

Compound Namemethanidyl(oxetan-3-ylmethyl)azanium
PubChem CID155624703
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Namemethanidyl(oxetan-3-ylmethyl)azanium
SMILES[CH2-][NH2+]CC1COC1
InChIInChI=1S/C5H11NO/c1-6-2-5-3-7-4-5/h5H,1-4,6H2
InChIKeyQHRRWUBYAIWXNX-UHFFFAOYSA-N
XLogP-1.01
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanidyl(oxetan-3-ylmethyl)azanium?
The IUPAC name of methanidyl(oxetan-3-ylmethyl)azanium (CID 155624703) is methanidyl(oxetan-3-ylmethyl)azanium.
What is the SMILES notation for methanidyl(oxetan-3-ylmethyl)azanium?
The canonical SMILES for methanidyl(oxetan-3-ylmethyl)azanium is [CH2-][NH2+]CC1COC1.
What is the InChIKey of methanidyl(oxetan-3-ylmethyl)azanium?
The InChIKey is QHRRWUBYAIWXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-6-2-5-3-7-4-5/h5H,1-4,6H2.
What are the key properties of methanidyl(oxetan-3-ylmethyl)azanium?
methanidyl(oxetan-3-ylmethyl)azanium has a molecular weight of 101.15 g/mol, XLogP of -1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl(oxetan-3-ylmethyl)azanium is sourced from PubChem (CID 155624703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).