6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one

C16H19NO2 — CID 10611170

IUPAC6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one
SMILESCOc1ccc2c(c1)C1(CC=CCC1)CN(C)C2=O
InChIInChI=1S/C16H19NO2/c1-17-11-16(8-4-3-5-9-16)14-10-12(19-2)6-7-13(14)15(17)18/h3-4,6-7,10H,5,8-9,11H2,1-2H3
InChIKeyLSVPJWXEVKJMKR-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.76
Rot. Bonds1

About 6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one

6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one (PubChem CID 10611170) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one.

Molecular Properties

Compound Name6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one
PubChem CID10611170
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one
SMILESCOc1ccc2c(c1)C1(CC=CCC1)CN(C)C2=O
InChIInChI=1S/C16H19NO2/c1-17-11-16(8-4-3-5-9-16)14-10-12(19-2)6-7-13(14)15(17)18/h3-4,6-7,10H,5,8-9,11H2,1-2H3
InChIKeyLSVPJWXEVKJMKR-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one
CID 132596146
7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one
CID 162417326
6-methoxy-2,3-dimethylinden-1-one
CID 71441575
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
3-methoxy-6,9-dimethyl-7H-benzo[d][2]benzazepin-5-one
CID 167573270
6-fluoro-2,4,4-trimethyl-3H-isoquinolin-1-one
CID 177485750
8-methoxy-5,6,6-trimethyl-4,4a-dihydrobenzo[b]carbazol-11-one
CID 134376167
(3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol
CID 162342798
(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one
CID 67359240
(6-methoxy-2,4-dimethyl-1,3-dioxoisoquinolin-4-yl)methyl selenocyanate
CID 172557865
6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
CID 170551612
7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one
CID 82278075

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one?
The IUPAC name of 6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one (CID 10611170) is 6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one.
What is the SMILES notation for 6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one?
The canonical SMILES for 6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one is COc1ccc2c(c1)C1(CC=CCC1)CN(C)C2=O.
What is the InChIKey of 6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one?
The InChIKey is LSVPJWXEVKJMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17-11-16(8-4-3-5-9-16)14-10-12(19-2)6-7-13(14)15(17)18/h3-4,6-7,10H,5,8-9,11H2,1-2H3.
What are the key properties of 6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one?
6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one has a molecular weight of 257.33 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one is sourced from PubChem (CID 10611170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).