2-ethenylidene-1-methylazetidine

C6H9N — CID 58939351

IUPAC2-ethenylidene-1-methylazetidine
SMILESC=C=C1CCN1C
InChIInChI=1S/C6H9N/c1-3-6-4-5-7(6)2/h1,4-5H2,2H3
InChIKeyPOXPMKIXXFHVLT-UHFFFAOYSA-N
MW95.14 g/mol
LogP0.99
Rot. Bonds

About 2-ethenylidene-1-methylazetidine

2-ethenylidene-1-methylazetidine (PubChem CID 58939351) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 2-ethenylidene-1-methylazetidine.

Molecular Properties

Compound Name2-ethenylidene-1-methylazetidine
PubChem CID58939351
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name2-ethenylidene-1-methylazetidine
SMILESC=C=C1CCN1C
InChIInChI=1S/C6H9N/c1-3-6-4-5-7(6)2/h1,4-5H2,2H3
InChIKeyPOXPMKIXXFHVLT-UHFFFAOYSA-N
XLogP0.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylidene-1-methylazetidine?
The IUPAC name of 2-ethenylidene-1-methylazetidine (CID 58939351) is 2-ethenylidene-1-methylazetidine.
What is the SMILES notation for 2-ethenylidene-1-methylazetidine?
The canonical SMILES for 2-ethenylidene-1-methylazetidine is C=C=C1CCN1C.
What is the InChIKey of 2-ethenylidene-1-methylazetidine?
The InChIKey is POXPMKIXXFHVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-3-6-4-5-7(6)2/h1,4-5H2,2H3.
What are the key properties of 2-ethenylidene-1-methylazetidine?
2-ethenylidene-1-methylazetidine has a molecular weight of 95.14 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylidene-1-methylazetidine is sourced from PubChem (CID 58939351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).