(3S)-1-tritio-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde

C10H11NO — CID 91195626

IUPAC(3S)-1-tritio-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde
SMILES[3H]C1N[C@H](C=O)Cc2ccccc21
InChIInChI=1S/C10H11NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,7,10-11H,5-6H2/t10-/m0/s1/i6T/t6?,10-
InChIKeyVSVRNUOGWHXMDZ-GLMYJJBNSA-N
MW163.21 g/mol
LogP0.90
Rot. Bonds1

About (3S)-1-tritio-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde

(3S)-1-tritio-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde (PubChem CID 91195626) has the molecular formula C10H11NO and a molecular weight of 163.21 g/mol. Its IUPAC name is (3S)-1-tritio-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name(3S)-1-tritio-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde
PubChem CID91195626
Molecular FormulaC10H11NO
Molecular Weight163.21 g/mol
Exact Mass163.09
IUPAC Name(3S)-1-tritio-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde
SMILES[3H]C1N[C@H](C=O)Cc2ccccc21
InChIInChI=1S/C10H11NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,7,10-11H,5-6H2/t10-/m0/s1/i6T/t6?,10-
InChIKeyVSVRNUOGWHXMDZ-GLMYJJBNSA-N
XLogP0.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-tritio-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde?
The IUPAC name of (3S)-1-tritio-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde (CID 91195626) is (3S)-1-tritio-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde.
What is the SMILES notation for (3S)-1-tritio-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde?
The canonical SMILES for (3S)-1-tritio-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde is [3H]C1N[C@H](C=O)Cc2ccccc21.
What is the InChIKey of (3S)-1-tritio-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde?
The InChIKey is VSVRNUOGWHXMDZ-GLMYJJBNSA-N. The full InChI is InChI=1S/C10H11NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,7,10-11H,5-6H2/t10-/m0/s1/i6T/t6?,10-.
What are the key properties of (3S)-1-tritio-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde?
(3S)-1-tritio-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde has a molecular weight of 163.21 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tritio-1,2,3,4-tetrahydroisoquinoline-3-carbaldehyde is sourced from PubChem (CID 91195626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).