1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxamide

C10H12N2O2 — CID 135563821

IUPAC1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxamide
SMILESNC(=O)C1CNC(=O)C2=CC=CCC21
InChIInChI=1S/C10H12N2O2/c11-9(13)8-5-12-10(14)7-4-2-1-3-6(7)8/h1-2,4,6,8H,3,5H2,(H2,11,13)(H,12,14)
InChIKeyHZVFJURHVQXOOK-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.28
Rot. Bonds1

About 1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxamide

1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxamide (PubChem CID 135563821) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxamide
PubChem CID135563821
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxamide
SMILESNC(=O)C1CNC(=O)C2=CC=CCC21
InChIInChI=1S/C10H12N2O2/c11-9(13)8-5-12-10(14)7-4-2-1-3-6(7)8/h1-2,4,6,8H,3,5H2,(H2,11,13)(H,12,14)
InChIKeyHZVFJURHVQXOOK-UHFFFAOYSA-N
XLogP-0.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxamide?
The IUPAC name of 1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxamide (CID 135563821) is 1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxamide.
What is the SMILES notation for 1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxamide?
The canonical SMILES for 1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxamide is NC(=O)C1CNC(=O)C2=CC=CCC21.
What is the InChIKey of 1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxamide?
The InChIKey is HZVFJURHVQXOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-9(13)8-5-12-10(14)7-4-2-1-3-6(7)8/h1-2,4,6,8H,3,5H2,(H2,11,13)(H,12,14).
What are the key properties of 1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxamide?
1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxamide has a molecular weight of 192.22 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxamide is sourced from PubChem (CID 135563821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).