3'-hydroxy-2-methylspiro[3H-isoquinoline-4,1'-cyclohexane]-1-one

C15H19NO2 — CID 156775286

IUPAC3'-hydroxy-2-methylspiro[3H-isoquinoline-4,1'-cyclohexane]-1-one
SMILESCN1CC2(CCCC(O)C2)c2ccccc2C1=O
InChIInChI=1S/C15H19NO2/c1-16-10-15(8-4-5-11(17)9-15)13-7-3-2-6-12(13)14(16)18/h2-3,6-7,11,17H,4-5,8-10H2,1H3
InChIKeyITDHYDKYSPIWGA-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.94
Rot. Bonds

About 3'-hydroxy-2-methylspiro[3H-isoquinoline-4,1'-cyclohexane]-1-one

3'-hydroxy-2-methylspiro[3H-isoquinoline-4,1'-cyclohexane]-1-one (PubChem CID 156775286) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3'-hydroxy-2-methylspiro[3H-isoquinoline-4,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name3'-hydroxy-2-methylspiro[3H-isoquinoline-4,1'-cyclohexane]-1-one
PubChem CID156775286
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3'-hydroxy-2-methylspiro[3H-isoquinoline-4,1'-cyclohexane]-1-one
SMILESCN1CC2(CCCC(O)C2)c2ccccc2C1=O
InChIInChI=1S/C15H19NO2/c1-16-10-15(8-4-5-11(17)9-15)13-7-3-2-6-12(13)14(16)18/h2-3,6-7,11,17H,4-5,8-10H2,1H3
InChIKeyITDHYDKYSPIWGA-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3'-hydroxy-2-methylspiro[3H-isoquinoline-4,1'-cyclohexane]-1-one?
The IUPAC name of 3'-hydroxy-2-methylspiro[3H-isoquinoline-4,1'-cyclohexane]-1-one (CID 156775286) is 3'-hydroxy-2-methylspiro[3H-isoquinoline-4,1'-cyclohexane]-1-one.
What is the SMILES notation for 3'-hydroxy-2-methylspiro[3H-isoquinoline-4,1'-cyclohexane]-1-one?
The canonical SMILES for 3'-hydroxy-2-methylspiro[3H-isoquinoline-4,1'-cyclohexane]-1-one is CN1CC2(CCCC(O)C2)c2ccccc2C1=O.
What is the InChIKey of 3'-hydroxy-2-methylspiro[3H-isoquinoline-4,1'-cyclohexane]-1-one?
The InChIKey is ITDHYDKYSPIWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16-10-15(8-4-5-11(17)9-15)13-7-3-2-6-12(13)14(16)18/h2-3,6-7,11,17H,4-5,8-10H2,1H3.
What are the key properties of 3'-hydroxy-2-methylspiro[3H-isoquinoline-4,1'-cyclohexane]-1-one?
3'-hydroxy-2-methylspiro[3H-isoquinoline-4,1'-cyclohexane]-1-one has a molecular weight of 245.32 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-hydroxy-2-methylspiro[3H-isoquinoline-4,1'-cyclohexane]-1-one is sourced from PubChem (CID 156775286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).