tert-butyl (2S)-2-ethenylazetidine-1-carboxylate

C10H17NO2 — CID 167239253

IUPACtert-butyl (2S)-2-ethenylazetidine-1-carboxylate
SMILESC=C[C@@H]1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-5-8-6-7-11(8)9(12)13-10(2,3)4/h5,8H,1,6-7H2,2-4H3/t8-/m1/s1
InChIKeyYANPAKFNVCJPEO-MRVPVSSYSA-N
MW183.25 g/mol
LogP2.18
Rot. Bonds1

About tert-butyl (2S)-2-ethenylazetidine-1-carboxylate

tert-butyl (2S)-2-ethenylazetidine-1-carboxylate (PubChem CID 167239253) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is tert-butyl (2S)-2-ethenylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-ethenylazetidine-1-carboxylate
PubChem CID167239253
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametert-butyl (2S)-2-ethenylazetidine-1-carboxylate
SMILESC=C[C@@H]1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-5-8-6-7-11(8)9(12)13-10(2,3)4/h5,8H,1,6-7H2,2-4H3/t8-/m1/s1
InChIKeyYANPAKFNVCJPEO-MRVPVSSYSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-ethenylazetidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-ethenylazetidine-1-carboxylate (CID 167239253) is tert-butyl (2S)-2-ethenylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-ethenylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-ethenylazetidine-1-carboxylate is C=C[C@@H]1CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-ethenylazetidine-1-carboxylate?
The InChIKey is YANPAKFNVCJPEO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-8-6-7-11(8)9(12)13-10(2,3)4/h5,8H,1,6-7H2,2-4H3/t8-/m1/s1.
What are the key properties of tert-butyl (2S)-2-ethenylazetidine-1-carboxylate?
tert-butyl (2S)-2-ethenylazetidine-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-ethenylazetidine-1-carboxylate is sourced from PubChem (CID 167239253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).