3-ethylidene-1-propylazetidine

C8H15N — CID 139336339

IUPAC3-ethylidene-1-propylazetidine
SMILESCC=C1CN(CCC)C1
InChIInChI=1S/C8H15N/c1-3-5-9-6-8(4-2)7-9/h4H,3,5-7H2,1-2H3
InChIKeyGDHOEHHLMBMOJQ-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.66
Rot. Bonds2

About 3-ethylidene-1-propylazetidine

3-ethylidene-1-propylazetidine (PubChem CID 139336339) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-ethylidene-1-propylazetidine.

Molecular Properties

Compound Name3-ethylidene-1-propylazetidine
PubChem CID139336339
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-ethylidene-1-propylazetidine
SMILESCC=C1CN(CCC)C1
InChIInChI=1S/C8H15N/c1-3-5-9-6-8(4-2)7-9/h4H,3,5-7H2,1-2H3
InChIKeyGDHOEHHLMBMOJQ-UHFFFAOYSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.66
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 3-ethylidene-1-propylazetidine?
The IUPAC name of 3-ethylidene-1-propylazetidine (CID 139336339) is 3-ethylidene-1-propylazetidine.
What is the SMILES notation for 3-ethylidene-1-propylazetidine?
The canonical SMILES for 3-ethylidene-1-propylazetidine is CC=C1CN(CCC)C1.
What is the InChIKey of 3-ethylidene-1-propylazetidine?
The InChIKey is GDHOEHHLMBMOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-9-6-8(4-2)7-9/h4H,3,5-7H2,1-2H3.
What are the key properties of 3-ethylidene-1-propylazetidine?
3-ethylidene-1-propylazetidine has a molecular weight of 125.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-1-propylazetidine is sourced from PubChem (CID 139336339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).