N-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide

C10H12N2O2 — CID 174778552

IUPACN-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide
SMILESO=CNOC1NCCc2ccccc21
InChIInChI=1S/C10H12N2O2/c13-7-12-14-10-9-4-2-1-3-8(9)5-6-11-10/h1-4,7,10-11H,5-6H2,(H,12,13)
InChIKeyRIQUMZKWOODAKH-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.51
Rot. Bonds3

About N-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide

N-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide (PubChem CID 174778552) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide
PubChem CID174778552
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide
SMILESO=CNOC1NCCc2ccccc21
InChIInChI=1S/C10H12N2O2/c13-7-12-14-10-9-4-2-1-3-8(9)5-6-11-10/h1-4,7,10-11H,5-6H2,(H,12,13)
InChIKeyRIQUMZKWOODAKH-UHFFFAOYSA-N
XLogP0.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide (CID 174778552) is N-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide is O=CNOC1NCCc2ccccc21.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide?
The InChIKey is RIQUMZKWOODAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-7-12-14-10-9-4-2-1-3-8(9)5-6-11-10/h1-4,7,10-11H,5-6H2,(H,12,13).
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide?
N-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide has a molecular weight of 192.22 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide is sourced from PubChem (CID 174778552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).