1-(2-methylprop-2-enyl)azetidine

C7H13N — CID 550700

IUPAC1-(2-methylprop-2-enyl)azetidine
SMILESC=C(C)CN1CCC1
InChIInChI=1S/C7H13N/c1-7(2)6-8-4-3-5-8/h1,3-6H2,2H3
InChIKeyBZNSIVYJAFVYFL-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.27
Rot. Bonds2

About 1-(2-methylprop-2-enyl)azetidine

1-(2-methylprop-2-enyl)azetidine (PubChem CID 550700) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)azetidine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)azetidine
PubChem CID550700
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1-(2-methylprop-2-enyl)azetidine
SMILESC=C(C)CN1CCC1
InChIInChI=1S/C7H13N/c1-7(2)6-8-4-3-5-8/h1,3-6H2,2H3
InChIKeyBZNSIVYJAFVYFL-UHFFFAOYSA-N
XLogP1.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.27
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-methylprop-2-enyl)azetidine?
The IUPAC name of 1-(2-methylprop-2-enyl)azetidine (CID 550700) is 1-(2-methylprop-2-enyl)azetidine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)azetidine?
The canonical SMILES for 1-(2-methylprop-2-enyl)azetidine is C=C(C)CN1CCC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)azetidine?
The InChIKey is BZNSIVYJAFVYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-7(2)6-8-4-3-5-8/h1,3-6H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)azetidine?
1-(2-methylprop-2-enyl)azetidine has a molecular weight of 111.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)azetidine is sourced from PubChem (CID 550700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).