spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]

C11H13N — CID 45073937

IUPACspiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]
SMILESc1ccc2c(c1)CC21CCNC1
InChIInChI=1S/C11H13N/c1-2-4-10-9(3-1)7-11(10)5-6-12-8-11/h1-4,12H,5-8H2
InChIKeyOHLUCRDUTNQEFD-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.47
Rot. Bonds

About spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]

spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine] (PubChem CID 45073937) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine].

Molecular Properties

Compound Namespiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]
PubChem CID45073937
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Namespiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]
SMILESc1ccc2c(c1)CC21CCNC1
InChIInChI=1S/C11H13N/c1-2-4-10-9(3-1)7-11(10)5-6-12-8-11/h1-4,12H,5-8H2
InChIKeyOHLUCRDUTNQEFD-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]?
The IUPAC name of spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine] (CID 45073937) is spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine].
What is the SMILES notation for spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]?
The canonical SMILES for spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine] is c1ccc2c(c1)CC21CCNC1.
What is the InChIKey of spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]?
The InChIKey is OHLUCRDUTNQEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-4-10-9(3-1)7-11(10)5-6-12-8-11/h1-4,12H,5-8H2.
What are the key properties of spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]?
spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine] has a molecular weight of 159.23 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine] is sourced from PubChem (CID 45073937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).