6-methylspiro[7,8-dihydro-6H-isoquinoline-5,3'-pyrrolidine]

C13H18N2 — CID 112715621

IUPAC6-methylspiro[7,8-dihydro-6H-isoquinoline-5,3'-pyrrolidine]
SMILESCC1CCc2cnccc2C12CCNC2
InChIInChI=1S/C13H18N2/c1-10-2-3-11-8-14-6-4-12(11)13(10)5-7-15-9-13/h4,6,8,10,15H,2-3,5,7,9H2,1H3
InChIKeyCIIFJCYJIULAPI-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.89
Rot. Bonds

About 6-methylspiro[7,8-dihydro-6H-isoquinoline-5,3'-pyrrolidine]

6-methylspiro[7,8-dihydro-6H-isoquinoline-5,3'-pyrrolidine] (PubChem CID 112715621) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 6-methylspiro[7,8-dihydro-6H-isoquinoline-5,3'-pyrrolidine].

Molecular Properties

Compound Name6-methylspiro[7,8-dihydro-6H-isoquinoline-5,3'-pyrrolidine]
PubChem CID112715621
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name6-methylspiro[7,8-dihydro-6H-isoquinoline-5,3'-pyrrolidine]
SMILESCC1CCc2cnccc2C12CCNC2
InChIInChI=1S/C13H18N2/c1-10-2-3-11-8-14-6-4-12(11)13(10)5-7-15-9-13/h4,6,8,10,15H,2-3,5,7,9H2,1H3
InChIKeyCIIFJCYJIULAPI-UHFFFAOYSA-N
XLogP1.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[7,8-dihydro-6H-isoquinoline-5,3'-pyrrolidine]?
The IUPAC name of 6-methylspiro[7,8-dihydro-6H-isoquinoline-5,3'-pyrrolidine] (CID 112715621) is 6-methylspiro[7,8-dihydro-6H-isoquinoline-5,3'-pyrrolidine].
What is the SMILES notation for 6-methylspiro[7,8-dihydro-6H-isoquinoline-5,3'-pyrrolidine]?
The canonical SMILES for 6-methylspiro[7,8-dihydro-6H-isoquinoline-5,3'-pyrrolidine] is CC1CCc2cnccc2C12CCNC2.
What is the InChIKey of 6-methylspiro[7,8-dihydro-6H-isoquinoline-5,3'-pyrrolidine]?
The InChIKey is CIIFJCYJIULAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-2-3-11-8-14-6-4-12(11)13(10)5-7-15-9-13/h4,6,8,10,15H,2-3,5,7,9H2,1H3.
What are the key properties of 6-methylspiro[7,8-dihydro-6H-isoquinoline-5,3'-pyrrolidine]?
6-methylspiro[7,8-dihydro-6H-isoquinoline-5,3'-pyrrolidine] has a molecular weight of 202.30 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[7,8-dihydro-6H-isoquinoline-5,3'-pyrrolidine] is sourced from PubChem (CID 112715621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).