1-[9-(methoxymethylidene)-1,2,4,10-tetrahydrobenzo[f]isoquinolin-3-yl]ethanone

C17H19NO2 — CID 57006302

IUPAC1-[9-(methoxymethylidene)-1,2,4,10-tetrahydrobenzo[f]isoquinolin-3-yl]ethanone
SMILESCOC=C1C=Cc2ccc3c(c2C1)CCN(C(C)=O)C3
InChIInChI=1S/C17H19NO2/c1-12(19)18-8-7-16-15(10-18)6-5-14-4-3-13(11-20-2)9-17(14)16/h3-6,11H,7-10H2,1-2H3
InChIKeyBWZWJHYDXRXLNC-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.69
Rot. Bonds1

About 1-[9-(methoxymethylidene)-1,2,4,10-tetrahydrobenzo[f]isoquinolin-3-yl]ethanone

1-[9-(methoxymethylidene)-1,2,4,10-tetrahydrobenzo[f]isoquinolin-3-yl]ethanone (PubChem CID 57006302) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[9-(methoxymethylidene)-1,2,4,10-tetrahydrobenzo[f]isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[9-(methoxymethylidene)-1,2,4,10-tetrahydrobenzo[f]isoquinolin-3-yl]ethanone
PubChem CID57006302
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-[9-(methoxymethylidene)-1,2,4,10-tetrahydrobenzo[f]isoquinolin-3-yl]ethanone
SMILESCOC=C1C=Cc2ccc3c(c2C1)CCN(C(C)=O)C3
InChIInChI=1S/C17H19NO2/c1-12(19)18-8-7-16-15(10-18)6-5-14-4-3-13(11-20-2)9-17(14)16/h3-6,11H,7-10H2,1-2H3
InChIKeyBWZWJHYDXRXLNC-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[9-(methoxymethylidene)-1,2,4,10-tetrahydrobenzo[f]isoquinolin-3-yl]ethanone?
The IUPAC name of 1-[9-(methoxymethylidene)-1,2,4,10-tetrahydrobenzo[f]isoquinolin-3-yl]ethanone (CID 57006302) is 1-[9-(methoxymethylidene)-1,2,4,10-tetrahydrobenzo[f]isoquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[9-(methoxymethylidene)-1,2,4,10-tetrahydrobenzo[f]isoquinolin-3-yl]ethanone?
The canonical SMILES for 1-[9-(methoxymethylidene)-1,2,4,10-tetrahydrobenzo[f]isoquinolin-3-yl]ethanone is COC=C1C=Cc2ccc3c(c2C1)CCN(C(C)=O)C3.
What is the InChIKey of 1-[9-(methoxymethylidene)-1,2,4,10-tetrahydrobenzo[f]isoquinolin-3-yl]ethanone?
The InChIKey is BWZWJHYDXRXLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(19)18-8-7-16-15(10-18)6-5-14-4-3-13(11-20-2)9-17(14)16/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-[9-(methoxymethylidene)-1,2,4,10-tetrahydrobenzo[f]isoquinolin-3-yl]ethanone?
1-[9-(methoxymethylidene)-1,2,4,10-tetrahydrobenzo[f]isoquinolin-3-yl]ethanone has a molecular weight of 269.34 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(methoxymethylidene)-1,2,4,10-tetrahydrobenzo[f]isoquinolin-3-yl]ethanone is sourced from PubChem (CID 57006302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).