1-(3-bicyclo[3.2.1]oct-2-enyl)pyrrolidine

C12H19N — CID 590630

IUPAC1-(3-bicyclo[3.2.1]oct-2-enyl)pyrrolidine
SMILESC1=C(N2CCCC2)CC2CCC1C2
InChIInChI=1S/C12H19N/c1-2-6-13(5-1)12-8-10-3-4-11(7-10)9-12/h8,10-11H,1-7,9H2
InChIKeyFDFCIAMDXUZIPV-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.79
Rot. Bonds1

About 1-(3-bicyclo[3.2.1]oct-2-enyl)pyrrolidine

1-(3-bicyclo[3.2.1]oct-2-enyl)pyrrolidine (PubChem CID 590630) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(3-bicyclo[3.2.1]oct-2-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-bicyclo[3.2.1]oct-2-enyl)pyrrolidine
PubChem CID590630
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(3-bicyclo[3.2.1]oct-2-enyl)pyrrolidine
SMILESC1=C(N2CCCC2)CC2CCC1C2
InChIInChI=1S/C12H19N/c1-2-6-13(5-1)12-8-10-3-4-11(7-10)9-12/h8,10-11H,1-7,9H2
InChIKeyFDFCIAMDXUZIPV-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.2.1]oct-2-enyl)pyrrolidine?
The IUPAC name of 1-(3-bicyclo[3.2.1]oct-2-enyl)pyrrolidine (CID 590630) is 1-(3-bicyclo[3.2.1]oct-2-enyl)pyrrolidine.
What is the SMILES notation for 1-(3-bicyclo[3.2.1]oct-2-enyl)pyrrolidine?
The canonical SMILES for 1-(3-bicyclo[3.2.1]oct-2-enyl)pyrrolidine is C1=C(N2CCCC2)CC2CCC1C2.
What is the InChIKey of 1-(3-bicyclo[3.2.1]oct-2-enyl)pyrrolidine?
The InChIKey is FDFCIAMDXUZIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-2-6-13(5-1)12-8-10-3-4-11(7-10)9-12/h8,10-11H,1-7,9H2.
What are the key properties of 1-(3-bicyclo[3.2.1]oct-2-enyl)pyrrolidine?
1-(3-bicyclo[3.2.1]oct-2-enyl)pyrrolidine has a molecular weight of 177.29 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.2.1]oct-2-enyl)pyrrolidine is sourced from PubChem (CID 590630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).