spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-one

C15H19NO — CID 685425

IUPACspiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-one
SMILESO=C1NC2(CCCCCC2)Cc2ccccc21
InChIInChI=1S/C15H19NO/c17-14-13-8-4-3-7-12(13)11-15(16-14)9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2,(H,16,17)
InChIKeyPHFZTRWMBRIDCU-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.07
Rot. Bonds

About spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-one

spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-one (PubChem CID 685425) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-one.

Molecular Properties

Compound Namespiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-one
PubChem CID685425
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Namespiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-one
SMILESO=C1NC2(CCCCCC2)Cc2ccccc21
InChIInChI=1S/C15H19NO/c17-14-13-8-4-3-7-12(13)11-15(16-14)9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2,(H,16,17)
InChIKeyPHFZTRWMBRIDCU-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-one?
The IUPAC name of spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-one (CID 685425) is spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-one.
What is the SMILES notation for spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-one?
The canonical SMILES for spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-one is O=C1NC2(CCCCCC2)Cc2ccccc21.
What is the InChIKey of spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-one?
The InChIKey is PHFZTRWMBRIDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-14-13-8-4-3-7-12(13)11-15(16-14)9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2,(H,16,17).
What are the key properties of spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-one?
spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-one has a molecular weight of 229.32 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,4-dihydroisoquinoline-3,1'-cycloheptane]-1-one is sourced from PubChem (CID 685425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).