1-but-2-en-2-ylazetidine

C7H13N — CID 123950090

IUPAC1-but-2-en-2-ylazetidine
SMILESCC=C(C)N1CCC1
InChIInChI=1S/C7H13N/c1-3-7(2)8-5-4-6-8/h3H,4-6H2,1-2H3
InChIKeyAFRLCWBBJOLDKH-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.62
Rot. Bonds1

About 1-but-2-en-2-ylazetidine

1-but-2-en-2-ylazetidine (PubChem CID 123950090) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1-but-2-en-2-ylazetidine.

Molecular Properties

Compound Name1-but-2-en-2-ylazetidine
PubChem CID123950090
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1-but-2-en-2-ylazetidine
SMILESCC=C(C)N1CCC1
InChIInChI=1S/C7H13N/c1-3-7(2)8-5-4-6-8/h3H,4-6H2,1-2H3
InChIKeyAFRLCWBBJOLDKH-UHFFFAOYSA-N
XLogP1.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-ylazetidine?
The IUPAC name of 1-but-2-en-2-ylazetidine (CID 123950090) is 1-but-2-en-2-ylazetidine.
What is the SMILES notation for 1-but-2-en-2-ylazetidine?
The canonical SMILES for 1-but-2-en-2-ylazetidine is CC=C(C)N1CCC1.
What is the InChIKey of 1-but-2-en-2-ylazetidine?
The InChIKey is AFRLCWBBJOLDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-3-7(2)8-5-4-6-8/h3H,4-6H2,1-2H3.
What are the key properties of 1-but-2-en-2-ylazetidine?
1-but-2-en-2-ylazetidine has a molecular weight of 111.19 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-ylazetidine is sourced from PubChem (CID 123950090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).