3-methylidene-2-propylazetidine

C7H13N — CID 54262626

IUPAC3-methylidene-2-propylazetidine
SMILESC=C1CNC1CCC
InChIInChI=1S/C7H13N/c1-3-4-7-6(2)5-8-7/h7-8H,2-5H2,1H3
InChIKeyREORDBPGEUSBNK-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.31
Rot. Bonds2

About 3-methylidene-2-propylazetidine

3-methylidene-2-propylazetidine (PubChem CID 54262626) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-methylidene-2-propylazetidine.

Molecular Properties

Compound Name3-methylidene-2-propylazetidine
PubChem CID54262626
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-methylidene-2-propylazetidine
SMILESC=C1CNC1CCC
InChIInChI=1S/C7H13N/c1-3-4-7-6(2)5-8-7/h7-8H,2-5H2,1H3
InChIKeyREORDBPGEUSBNK-UHFFFAOYSA-N
XLogP1.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methylidene-2-propylazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-propylazetidine?
The IUPAC name of 3-methylidene-2-propylazetidine (CID 54262626) is 3-methylidene-2-propylazetidine.
What is the SMILES notation for 3-methylidene-2-propylazetidine?
The canonical SMILES for 3-methylidene-2-propylazetidine is C=C1CNC1CCC.
What is the InChIKey of 3-methylidene-2-propylazetidine?
The InChIKey is REORDBPGEUSBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-3-4-7-6(2)5-8-7/h7-8H,2-5H2,1H3.
What are the key properties of 3-methylidene-2-propylazetidine?
3-methylidene-2-propylazetidine has a molecular weight of 111.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-propylazetidine is sourced from PubChem (CID 54262626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).