ethyl 2,4-bis(ethenyl)azetidine-1-carboxylate

C10H15NO2 — CID 70498953

IUPACethyl 2,4-bis(ethenyl)azetidine-1-carboxylate
SMILESC=CC1CC(C=C)N1C(=O)OCC
InChIInChI=1S/C10H15NO2/c1-4-8-7-9(5-2)11(8)10(12)13-6-3/h4-5,8-9H,1-2,6-7H2,3H3
InChIKeyHQDOVODJAXKUFI-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.96
Rot. Bonds3

About ethyl 2,4-bis(ethenyl)azetidine-1-carboxylate

ethyl 2,4-bis(ethenyl)azetidine-1-carboxylate (PubChem CID 70498953) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethyl 2,4-bis(ethenyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-bis(ethenyl)azetidine-1-carboxylate
PubChem CID70498953
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethyl 2,4-bis(ethenyl)azetidine-1-carboxylate
SMILESC=CC1CC(C=C)N1C(=O)OCC
InChIInChI=1S/C10H15NO2/c1-4-8-7-9(5-2)11(8)10(12)13-6-3/h4-5,8-9H,1-2,6-7H2,3H3
InChIKeyHQDOVODJAXKUFI-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.96
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 ethyl 2,4-bis(ethenyl)azetidine-1-carboxylate?
The IUPAC name of ethyl 2,4-bis(ethenyl)azetidine-1-carboxylate (CID 70498953) is ethyl 2,4-bis(ethenyl)azetidine-1-carboxylate.
What is the SMILES notation for ethyl 2,4-bis(ethenyl)azetidine-1-carboxylate?
The canonical SMILES for ethyl 2,4-bis(ethenyl)azetidine-1-carboxylate is C=CC1CC(C=C)N1C(=O)OCC.
What is the InChIKey of ethyl 2,4-bis(ethenyl)azetidine-1-carboxylate?
The InChIKey is HQDOVODJAXKUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-8-7-9(5-2)11(8)10(12)13-6-3/h4-5,8-9H,1-2,6-7H2,3H3.
What are the key properties of ethyl 2,4-bis(ethenyl)azetidine-1-carboxylate?
ethyl 2,4-bis(ethenyl)azetidine-1-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-bis(ethenyl)azetidine-1-carboxylate is sourced from PubChem (CID 70498953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).