1-[(1R,4S)-2-bicyclo[2.2.1]hept-2-enyl]pyrrolidine

C11H17N — CID 11457867

IUPAC1-[(1R,4S)-2-bicyclo[2.2.1]hept-2-enyl]pyrrolidine
SMILESC1=C(N2CCCC2)[C@@H]2CC[C@H]1C2
InChIInChI=1S/C11H17N/c1-2-6-12(5-1)11-8-9-3-4-10(11)7-9/h8-10H,1-7H2/t9-,10+/m0/s1
InChIKeyJPBKBZLBOYJARJ-VHSXEESVSA-N
MW163.26 g/mol
LogP2.40
Rot. Bonds1

About 1-[(1R,4S)-2-bicyclo[2.2.1]hept-2-enyl]pyrrolidine

1-[(1R,4S)-2-bicyclo[2.2.1]hept-2-enyl]pyrrolidine (PubChem CID 11457867) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-[(1R,4S)-2-bicyclo[2.2.1]hept-2-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1R,4S)-2-bicyclo[2.2.1]hept-2-enyl]pyrrolidine
PubChem CID11457867
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-[(1R,4S)-2-bicyclo[2.2.1]hept-2-enyl]pyrrolidine
SMILESC1=C(N2CCCC2)[C@@H]2CC[C@H]1C2
InChIInChI=1S/C11H17N/c1-2-6-12(5-1)11-8-9-3-4-10(11)7-9/h8-10H,1-7H2/t9-,10+/m0/s1
InChIKeyJPBKBZLBOYJARJ-VHSXEESVSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(1R,4S)-2-bicyclo[2.2.1]hept-2-enyl]pyrrolidine 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 1-[(1R,4S)-2-bicyclo[2.2.1]hept-2-enyl]pyrrolidine?
The IUPAC name of 1-[(1R,4S)-2-bicyclo[2.2.1]hept-2-enyl]pyrrolidine (CID 11457867) is 1-[(1R,4S)-2-bicyclo[2.2.1]hept-2-enyl]pyrrolidine.
What is the SMILES notation for 1-[(1R,4S)-2-bicyclo[2.2.1]hept-2-enyl]pyrrolidine?
The canonical SMILES for 1-[(1R,4S)-2-bicyclo[2.2.1]hept-2-enyl]pyrrolidine is C1=C(N2CCCC2)[C@@H]2CC[C@H]1C2.
What is the InChIKey of 1-[(1R,4S)-2-bicyclo[2.2.1]hept-2-enyl]pyrrolidine?
The InChIKey is JPBKBZLBOYJARJ-VHSXEESVSA-N. The full InChI is InChI=1S/C11H17N/c1-2-6-12(5-1)11-8-9-3-4-10(11)7-9/h8-10H,1-7H2/t9-,10+/m0/s1.
What are the key properties of 1-[(1R,4S)-2-bicyclo[2.2.1]hept-2-enyl]pyrrolidine?
1-[(1R,4S)-2-bicyclo[2.2.1]hept-2-enyl]pyrrolidine has a molecular weight of 163.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4S)-2-bicyclo[2.2.1]hept-2-enyl]pyrrolidine is sourced from PubChem (CID 11457867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).