3-ethenylidenepyrrolidine

C6H9N — CID 123786754

IUPAC3-ethenylidenepyrrolidine
SMILESC=C=C1CCNC1
InChIInChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h7H,1,3-5H2
InChIKeyDZTMVNJDPWVZNA-UHFFFAOYSA-N
MW95.14 g/mol
LogP0.69
Rot. Bonds

About 3-ethenylidenepyrrolidine

3-ethenylidenepyrrolidine (PubChem CID 123786754) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 3-ethenylidenepyrrolidine.

Molecular Properties

Compound Name3-ethenylidenepyrrolidine
PubChem CID123786754
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name3-ethenylidenepyrrolidine
SMILESC=C=C1CCNC1
InChIInChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h7H,1,3-5H2
InChIKeyDZTMVNJDPWVZNA-UHFFFAOYSA-N
XLogP0.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylidenepyrrolidine?
The IUPAC name of 3-ethenylidenepyrrolidine (CID 123786754) is 3-ethenylidenepyrrolidine.
What is the SMILES notation for 3-ethenylidenepyrrolidine?
The canonical SMILES for 3-ethenylidenepyrrolidine is C=C=C1CCNC1.
What is the InChIKey of 3-ethenylidenepyrrolidine?
The InChIKey is DZTMVNJDPWVZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h7H,1,3-5H2.
What are the key properties of 3-ethenylidenepyrrolidine?
3-ethenylidenepyrrolidine has a molecular weight of 95.14 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylidenepyrrolidine is sourced from PubChem (CID 123786754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).