3-propan-2-ylidenepyrrolidine

C7H13N — CID 79875563

IUPAC3-propan-2-ylidenepyrrolidine
SMILESCC(C)=C1CCNC1
InChIInChI=1S/C7H13N/c1-6(2)7-3-4-8-5-7/h8H,3-5H2,1-2H3
InChIKeyPJOJRULOXDBYGM-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.32
Rot. Bonds

About 3-propan-2-ylidenepyrrolidine

3-propan-2-ylidenepyrrolidine (PubChem CID 79875563) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-propan-2-ylidenepyrrolidine.

Molecular Properties

Compound Name3-propan-2-ylidenepyrrolidine
PubChem CID79875563
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-propan-2-ylidenepyrrolidine
SMILESCC(C)=C1CCNC1
InChIInChI=1S/C7H13N/c1-6(2)7-3-4-8-5-7/h8H,3-5H2,1-2H3
InChIKeyPJOJRULOXDBYGM-UHFFFAOYSA-N
XLogP1.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
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-propan-2-ylidenepyrrolidine?
The IUPAC name of 3-propan-2-ylidenepyrrolidine (CID 79875563) is 3-propan-2-ylidenepyrrolidine.
What is the SMILES notation for 3-propan-2-ylidenepyrrolidine?
The canonical SMILES for 3-propan-2-ylidenepyrrolidine is CC(C)=C1CCNC1.
What is the InChIKey of 3-propan-2-ylidenepyrrolidine?
The InChIKey is PJOJRULOXDBYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6(2)7-3-4-8-5-7/h8H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-ylidenepyrrolidine?
3-propan-2-ylidenepyrrolidine has a molecular weight of 111.19 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylidenepyrrolidine is sourced from PubChem (CID 79875563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).