spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]

C13H17N — CID 91557907

IUPACspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]
SMILESc1ccc2c(c1)CCNC21CCCC1
InChIInChI=1S/C13H17N/c1-2-6-12-11(5-1)7-10-14-13(12)8-3-4-9-13/h1-2,5-6,14H,3-4,7-10H2
InChIKeyIYFCZCVFISKZNC-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.60
Rot. Bonds

About spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]

spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane] (PubChem CID 91557907) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane].

Molecular Properties

Compound Namespiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]
PubChem CID91557907
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Namespiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]
SMILESc1ccc2c(c1)CCNC21CCCC1
InChIInChI=1S/C13H17N/c1-2-6-12-11(5-1)7-10-14-13(12)8-3-4-9-13/h1-2,5-6,14H,3-4,7-10H2
InChIKeyIYFCZCVFISKZNC-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]?
The IUPAC name of spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane] (CID 91557907) is spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane].
What is the SMILES notation for spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]?
The canonical SMILES for spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane] is c1ccc2c(c1)CCNC21CCCC1.
What is the InChIKey of spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]?
The InChIKey is IYFCZCVFISKZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-6-12-11(5-1)7-10-14-13(12)8-3-4-9-13/h1-2,5-6,14H,3-4,7-10H2.
What are the key properties of spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane]?
spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane] has a molecular weight of 187.29 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopentane] is sourced from PubChem (CID 91557907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).