2-(oxetan-3-ylidene)ethanamine

C5H9NO — CID 115011031

IUPAC2-(oxetan-3-ylidene)ethanamine
SMILESNCC=C1COC1
InChIInChI=1S/C5H9NO/c6-2-1-5-3-7-4-5/h1H,2-4,6H2
InChIKeyAZDTZSYHWKCTEP-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.10
Rot. Bonds1

About 2-(oxetan-3-ylidene)ethanamine

2-(oxetan-3-ylidene)ethanamine (PubChem CID 115011031) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-(oxetan-3-ylidene)ethanamine.

Molecular Properties

Compound Name2-(oxetan-3-ylidene)ethanamine
PubChem CID115011031
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-(oxetan-3-ylidene)ethanamine
SMILESNCC=C1COC1
InChIInChI=1S/C5H9NO/c6-2-1-5-3-7-4-5/h1H,2-4,6H2
InChIKeyAZDTZSYHWKCTEP-UHFFFAOYSA-N
XLogP-0.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxybut-2-en-1-amine
CID 21966624
CID 53635139
CID 53635139
N-ethyl-2-(oxetan-3-ylidene)ethanamine
CID 141356196
2,5-Dihydrofuran-3-ylmethanamine
CID 157903531
(E)-4-ethoxy-3-methylbut-2-en-1-amine
CID 55290086
(E)-3-methyl-4-propoxybut-2-en-1-amine
CID 55290462
(E)-4-methoxy-3-methylbut-2-en-1-amine
CID 63969256
4-Methoxy-3-methylbut-2-en-1-amine
CID 76997092
3-(2-Methoxyethylidene)azetidine
CID 126845426
2-(Methoxymethyl)but-2-en-1-amine
CID 163744603

Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-ylidene)ethanamine?
The IUPAC name of 2-(oxetan-3-ylidene)ethanamine (CID 115011031) is 2-(oxetan-3-ylidene)ethanamine.
What is the SMILES notation for 2-(oxetan-3-ylidene)ethanamine?
The canonical SMILES for 2-(oxetan-3-ylidene)ethanamine is NCC=C1COC1.
What is the InChIKey of 2-(oxetan-3-ylidene)ethanamine?
The InChIKey is AZDTZSYHWKCTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c6-2-1-5-3-7-4-5/h1H,2-4,6H2.
What are the key properties of 2-(oxetan-3-ylidene)ethanamine?
2-(oxetan-3-ylidene)ethanamine has a molecular weight of 99.13 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-ylidene)ethanamine is sourced from PubChem (CID 115011031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).