7-methoxy-2,3-dihydroisoquinoline-1-carbaldehyde

C11H11NO2 — CID 143221303

IUPAC7-methoxy-2,3-dihydroisoquinoline-1-carbaldehyde
SMILESCOc1ccc2c(c1)=C(C=O)NCC=2
InChIInChI=1S/C11H11NO2/c1-14-9-3-2-8-4-5-12-11(7-13)10(8)6-9/h2-4,6-7,12H,5H2,1H3
InChIKeyFTLIWZGCCKNMAO-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.61
Rot. Bonds2

About 7-methoxy-2,3-dihydroisoquinoline-1-carbaldehyde

7-methoxy-2,3-dihydroisoquinoline-1-carbaldehyde (PubChem CID 143221303) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 7-methoxy-2,3-dihydroisoquinoline-1-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-2,3-dihydroisoquinoline-1-carbaldehyde
PubChem CID143221303
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name7-methoxy-2,3-dihydroisoquinoline-1-carbaldehyde
SMILESCOc1ccc2c(c1)=C(C=O)NCC=2
InChIInChI=1S/C11H11NO2/c1-14-9-3-2-8-4-5-12-11(7-13)10(8)6-9/h2-4,6-7,12H,5H2,1H3
InChIKeyFTLIWZGCCKNMAO-UHFFFAOYSA-N
XLogP-0.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3-dihydroisoquinoline-1-carbaldehyde?
The IUPAC name of 7-methoxy-2,3-dihydroisoquinoline-1-carbaldehyde (CID 143221303) is 7-methoxy-2,3-dihydroisoquinoline-1-carbaldehyde.
What is the SMILES notation for 7-methoxy-2,3-dihydroisoquinoline-1-carbaldehyde?
The canonical SMILES for 7-methoxy-2,3-dihydroisoquinoline-1-carbaldehyde is COc1ccc2c(c1)=C(C=O)NCC=2.
What is the InChIKey of 7-methoxy-2,3-dihydroisoquinoline-1-carbaldehyde?
The InChIKey is FTLIWZGCCKNMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-9-3-2-8-4-5-12-11(7-13)10(8)6-9/h2-4,6-7,12H,5H2,1H3.
What are the key properties of 7-methoxy-2,3-dihydroisoquinoline-1-carbaldehyde?
7-methoxy-2,3-dihydroisoquinoline-1-carbaldehyde has a molecular weight of 189.21 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,3-dihydroisoquinoline-1-carbaldehyde is sourced from PubChem (CID 143221303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).