tert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate

C14H25NO3 — CID 90703735

IUPACtert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate
SMILESCC=C(CC)OCC1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-6-12(7-2)17-10-11-8-9-15(11)13(16)18-14(3,4)5/h6,11H,7-10H2,1-5H3
InChIKeyYATOFDADDJZRIY-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.33
Rot. Bonds4

About tert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate

tert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate (PubChem CID 90703735) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate
PubChem CID90703735
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate
SMILESCC=C(CC)OCC1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-6-12(7-2)17-10-11-8-9-15(11)13(16)18-14(3,4)5/h6,11H,7-10H2,1-5H3
InChIKeyYATOFDADDJZRIY-UHFFFAOYSA-N
XLogP3.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate
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tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate
CID 67107599
tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate
CID 58617998
tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
CID 82040400
tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
CID 77421281
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
tert-butyl (2S)-2-[(4-phenylbenzoyl)oxymethyl]azetidine-1-carboxylate
CID 11303113
tert-butyl 2-(phenoxymethyl)azetidine-1-carboxylate
CID 57454928
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl (2S)-2-(azidomethyl)azetidine-1-carboxylate
CID 123457284
tert-butyl 2-(cyclohexyloxymethyl)pyrrolidine-1-carboxylate
CID 22001447

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate (CID 90703735) is tert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate is CC=C(CC)OCC1CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate?
The InChIKey is YATOFDADDJZRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-6-12(7-2)17-10-11-8-9-15(11)13(16)18-14(3,4)5/h6,11H,7-10H2,1-5H3.
What are the key properties of tert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate?
tert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate is sourced from PubChem (CID 90703735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).