1,2,3-tris(prop-2-enyl)azetidine

C12H19N — CID 67279396

IUPAC1,2,3-tris(prop-2-enyl)azetidine
SMILESC=CCC1CN(CC=C)C1CC=C
InChIInChI=1S/C12H19N/c1-4-7-11-10-13(9-6-3)12(11)8-5-2/h4-6,11-12H,1-3,7-10H2
InChIKeyLVGPYSNRKHFQRF-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.62
Rot. Bonds6

About 1,2,3-tris(prop-2-enyl)azetidine

1,2,3-tris(prop-2-enyl)azetidine (PubChem CID 67279396) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1,2,3-tris(prop-2-enyl)azetidine.

Molecular Properties

Compound Name1,2,3-tris(prop-2-enyl)azetidine
PubChem CID67279396
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1,2,3-tris(prop-2-enyl)azetidine
SMILESC=CCC1CN(CC=C)C1CC=C
InChIInChI=1S/C12H19N/c1-4-7-11-10-13(9-6-3)12(11)8-5-2/h4-6,11-12H,1-3,7-10H2
InChIKeyLVGPYSNRKHFQRF-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,2,3-tris(prop-2-enyl)azetidine?
The IUPAC name of 1,2,3-tris(prop-2-enyl)azetidine (CID 67279396) is 1,2,3-tris(prop-2-enyl)azetidine.
What is the SMILES notation for 1,2,3-tris(prop-2-enyl)azetidine?
The canonical SMILES for 1,2,3-tris(prop-2-enyl)azetidine is C=CCC1CN(CC=C)C1CC=C.
What is the InChIKey of 1,2,3-tris(prop-2-enyl)azetidine?
The InChIKey is LVGPYSNRKHFQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-7-11-10-13(9-6-3)12(11)8-5-2/h4-6,11-12H,1-3,7-10H2.
What are the key properties of 1,2,3-tris(prop-2-enyl)azetidine?
1,2,3-tris(prop-2-enyl)azetidine has a molecular weight of 177.29 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(prop-2-enyl)azetidine is sourced from PubChem (CID 67279396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).