2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde

C11H13NO — CID 87482046

IUPAC2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde
SMILESO=CCc1ccc2c(c1)CCNC2
InChIInChI=1S/C11H13NO/c13-6-4-9-1-2-11-8-12-5-3-10(11)7-9/h1-2,6-7,12H,3-5,8H2
InChIKeyCDRHJOGZCILPTC-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.07
Rot. Bonds2

About 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde

2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde (PubChem CID 87482046) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde
PubChem CID87482046
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde
SMILESO=CCc1ccc2c(c1)CCNC2
InChIInChI=1S/C11H13NO/c13-6-4-9-1-2-11-8-12-5-3-10(11)7-9/h1-2,6-7,12H,3-5,8H2
InChIKeyCDRHJOGZCILPTC-UHFFFAOYSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 83963309
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine
CID 115104816
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 143985819
tert-butyl formate;2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetonitrile
CID 174627833
N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 115104820
1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
CID 115104826
6-iodo-1,2,3,4-tetrahydroisoquinoline
CID 57364263
2-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]propan-2-amine
CID 115104818
6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104815
N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 115105026
1,2,3,4-tetrahydroisoquinolin-6-amine;dihydrobromide
CID 91982951
6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104179

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde?
The IUPAC name of 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde (CID 87482046) is 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde?
The canonical SMILES for 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde is O=CCc1ccc2c(c1)CCNC2.
What is the InChIKey of 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde?
The InChIKey is CDRHJOGZCILPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-6-4-9-1-2-11-8-12-5-3-10(11)7-9/h1-2,6-7,12H,3-5,8H2.
What are the key properties of 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde?
2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde has a molecular weight of 175.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetaldehyde is sourced from PubChem (CID 87482046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).