5-chlorospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one

C13H14ClNO — CID 82129466

IUPAC5-chlorospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one
SMILESO=C1NC2(CCCC2)Cc2c(Cl)cccc21
InChIInChI=1S/C13H14ClNO/c14-11-5-3-4-9-10(11)8-13(15-12(9)16)6-1-2-7-13/h3-5H,1-2,6-8H2,(H,15,16)
InChIKeyPYUDEWXDBRFZFT-UHFFFAOYSA-N
MW235.71 g/mol
LogP2.94
Rot. Bonds

About 5-chlorospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one

5-chlorospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one (PubChem CID 82129466) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 5-chlorospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one.

Molecular Properties

Compound Name5-chlorospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one
PubChem CID82129466
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name5-chlorospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one
SMILESO=C1NC2(CCCC2)Cc2c(Cl)cccc21
InChIInChI=1S/C13H14ClNO/c14-11-5-3-4-9-10(11)8-13(15-12(9)16)6-1-2-7-13/h3-5H,1-2,6-8H2,(H,15,16)
InChIKeyPYUDEWXDBRFZFT-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chlorospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one?
The IUPAC name of 5-chlorospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one (CID 82129466) is 5-chlorospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one.
What is the SMILES notation for 5-chlorospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one?
The canonical SMILES for 5-chlorospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one is O=C1NC2(CCCC2)Cc2c(Cl)cccc21.
What is the InChIKey of 5-chlorospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one?
The InChIKey is PYUDEWXDBRFZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c14-11-5-3-4-9-10(11)8-13(15-12(9)16)6-1-2-7-13/h3-5H,1-2,6-8H2,(H,15,16).
What are the key properties of 5-chlorospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one?
5-chlorospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one has a molecular weight of 235.71 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorospiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one is sourced from PubChem (CID 82129466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).