3-methylazetidine

C4H9N — CID 19995942

IUPAC3-methylazetidine
SMILESCC1CNC1
InChIInChI=1S/C4H9N/c1-4-2-5-3-4/h4-5H,2-3H2,1H3
InChIKeyHTHMVKNHGOVITA-UHFFFAOYSA-N
MW71.12 g/mol
LogP0.23
Rot. Bonds

About 3-methylazetidine

3-methylazetidine (PubChem CID 19995942) has the molecular formula C4H9N and a molecular weight of 71.12 g/mol. Its IUPAC name is 3-methylazetidine.

Molecular Properties

Compound Name3-methylazetidine
PubChem CID19995942
Molecular FormulaC4H9N
Molecular Weight71.12 g/mol
Exact Mass71.07
IUPAC Name3-methylazetidine
SMILESCC1CNC1
InChIInChI=1S/C4H9N/c1-4-2-5-3-4/h4-5H,2-3H2,1H3
InChIKeyHTHMVKNHGOVITA-UHFFFAOYSA-N
XLogP0.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.12
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylazetidine?
The IUPAC name of 3-methylazetidine (CID 19995942) is 3-methylazetidine.
What is the SMILES notation for 3-methylazetidine?
The canonical SMILES for 3-methylazetidine is CC1CNC1.
What is the InChIKey of 3-methylazetidine?
The InChIKey is HTHMVKNHGOVITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N/c1-4-2-5-3-4/h4-5H,2-3H2,1H3.
What are the key properties of 3-methylazetidine?
3-methylazetidine has a molecular weight of 71.12 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylazetidine is sourced from PubChem (CID 19995942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).