but-1-en-1-ol;ethyl azetidine-1-carboxylate

C10H19NO3 — CID 67740193

IUPACbut-1-en-1-ol;ethyl azetidine-1-carboxylate
SMILESCCC=CO.CCOC(=O)N1CCC1
InChIInChI=1S/C6H11NO2.C4H8O/c1-2-9-6(8)7-4-3-5-7;1-2-3-4-5/h2-5H2,1H3;3-5H,2H2,1H3
InChIKeyKWWVFVRWEYQAQE-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.32
Rot. Bonds2

About but-1-en-1-ol;ethyl azetidine-1-carboxylate

but-1-en-1-ol;ethyl azetidine-1-carboxylate (PubChem CID 67740193) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is but-1-en-1-ol;ethyl azetidine-1-carboxylate.

Molecular Properties

Compound Namebut-1-en-1-ol;ethyl azetidine-1-carboxylate
PubChem CID67740193
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namebut-1-en-1-ol;ethyl azetidine-1-carboxylate
SMILESCCC=CO.CCOC(=O)N1CCC1
InChIInChI=1S/C6H11NO2.C4H8O/c1-2-9-6(8)7-4-3-5-7;1-2-3-4-5/h2-5H2,1H3;3-5H,2H2,1H3
InChIKeyKWWVFVRWEYQAQE-UHFFFAOYSA-N
XLogP2.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-1-en-1-ol;ethyl azetidine-1-carboxylate?
The IUPAC name of but-1-en-1-ol;ethyl azetidine-1-carboxylate (CID 67740193) is but-1-en-1-ol;ethyl azetidine-1-carboxylate.
What is the SMILES notation for but-1-en-1-ol;ethyl azetidine-1-carboxylate?
The canonical SMILES for but-1-en-1-ol;ethyl azetidine-1-carboxylate is CCC=CO.CCOC(=O)N1CCC1.
What is the InChIKey of but-1-en-1-ol;ethyl azetidine-1-carboxylate?
The InChIKey is KWWVFVRWEYQAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C4H8O/c1-2-9-6(8)7-4-3-5-7;1-2-3-4-5/h2-5H2,1H3;3-5H,2H2,1H3.
What are the key properties of but-1-en-1-ol;ethyl azetidine-1-carboxylate?
but-1-en-1-ol;ethyl azetidine-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-en-1-ol;ethyl azetidine-1-carboxylate is sourced from PubChem (CID 67740193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).