1-but-2-ynyl-3-(methoxymethyl)azetidine

C9H15NO — CID 153398551

IUPAC1-but-2-ynyl-3-(methoxymethyl)azetidine
SMILESCC#CCN1CC(COC)C1
InChIInChI=1S/C9H15NO/c1-3-4-5-10-6-9(7-10)8-11-2/h9H,5-8H2,1-2H3
InChIKeyBDIROLLPSLMKLI-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.59
Rot. Bonds3

About 1-but-2-ynyl-3-(methoxymethyl)azetidine

1-but-2-ynyl-3-(methoxymethyl)azetidine (PubChem CID 153398551) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-but-2-ynyl-3-(methoxymethyl)azetidine.

Molecular Properties

Compound Name1-but-2-ynyl-3-(methoxymethyl)azetidine
PubChem CID153398551
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-but-2-ynyl-3-(methoxymethyl)azetidine
SMILESCC#CCN1CC(COC)C1
InChIInChI=1S/C9H15NO/c1-3-4-5-10-6-9(7-10)8-11-2/h9H,5-8H2,1-2H3
InChIKeyBDIROLLPSLMKLI-UHFFFAOYSA-N
XLogP0.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-2-ynyl-3-(methoxymethyl)azetidine?
The IUPAC name of 1-but-2-ynyl-3-(methoxymethyl)azetidine (CID 153398551) is 1-but-2-ynyl-3-(methoxymethyl)azetidine.
What is the SMILES notation for 1-but-2-ynyl-3-(methoxymethyl)azetidine?
The canonical SMILES for 1-but-2-ynyl-3-(methoxymethyl)azetidine is CC#CCN1CC(COC)C1.
What is the InChIKey of 1-but-2-ynyl-3-(methoxymethyl)azetidine?
The InChIKey is BDIROLLPSLMKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-5-10-6-9(7-10)8-11-2/h9H,5-8H2,1-2H3.
What are the key properties of 1-but-2-ynyl-3-(methoxymethyl)azetidine?
1-but-2-ynyl-3-(methoxymethyl)azetidine has a molecular weight of 153.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-ynyl-3-(methoxymethyl)azetidine is sourced from PubChem (CID 153398551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).