4-hydroxy-3-methyl-1,2-dihydroisoquinoline-1-carbaldehyde

C11H11NO2 — CID 174522282

IUPAC4-hydroxy-3-methyl-1,2-dihydroisoquinoline-1-carbaldehyde
SMILESCC1=C(O)c2ccccc2C(C=O)N1
InChIInChI=1S/C11H11NO2/c1-7-11(14)9-5-3-2-4-8(9)10(6-13)12-7/h2-6,10,12,14H,1H3
InChIKeyIBQPQKNSCJKOPK-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.78
Rot. Bonds1

About 4-hydroxy-3-methyl-1,2-dihydroisoquinoline-1-carbaldehyde

4-hydroxy-3-methyl-1,2-dihydroisoquinoline-1-carbaldehyde (PubChem CID 174522282) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-1,2-dihydroisoquinoline-1-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-methyl-1,2-dihydroisoquinoline-1-carbaldehyde
PubChem CID174522282
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4-hydroxy-3-methyl-1,2-dihydroisoquinoline-1-carbaldehyde
SMILESCC1=C(O)c2ccccc2C(C=O)N1
InChIInChI=1S/C11H11NO2/c1-7-11(14)9-5-3-2-4-8(9)10(6-13)12-7/h2-6,10,12,14H,1H3
InChIKeyIBQPQKNSCJKOPK-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
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 4-hydroxy-3-methyl-1,2-dihydroisoquinoline-1-carbaldehyde?
The IUPAC name of 4-hydroxy-3-methyl-1,2-dihydroisoquinoline-1-carbaldehyde (CID 174522282) is 4-hydroxy-3-methyl-1,2-dihydroisoquinoline-1-carbaldehyde.
What is the SMILES notation for 4-hydroxy-3-methyl-1,2-dihydroisoquinoline-1-carbaldehyde?
The canonical SMILES for 4-hydroxy-3-methyl-1,2-dihydroisoquinoline-1-carbaldehyde is CC1=C(O)c2ccccc2C(C=O)N1.
What is the InChIKey of 4-hydroxy-3-methyl-1,2-dihydroisoquinoline-1-carbaldehyde?
The InChIKey is IBQPQKNSCJKOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-11(14)9-5-3-2-4-8(9)10(6-13)12-7/h2-6,10,12,14H,1H3.
What are the key properties of 4-hydroxy-3-methyl-1,2-dihydroisoquinoline-1-carbaldehyde?
4-hydroxy-3-methyl-1,2-dihydroisoquinoline-1-carbaldehyde has a molecular weight of 189.21 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-1,2-dihydroisoquinoline-1-carbaldehyde is sourced from PubChem (CID 174522282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).