N-(4,5,6,7-tetrahydro-2H-isoindol-5-yl)acetamide

C10H14N2O — CID 15571644

IUPACN-(4,5,6,7-tetrahydro-2H-isoindol-5-yl)acetamide
SMILESCC(=O)NC1CCc2c[nH]cc2C1
InChIInChI=1S/C10H14N2O/c1-7(13)12-10-3-2-8-5-11-6-9(8)4-10/h5-6,10-11H,2-4H2,1H3,(H,12,13)
InChIKeySXSQHRKRHHNSCO-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.01
Rot. Bonds1

About N-(4,5,6,7-tetrahydro-2H-isoindol-5-yl)acetamide

N-(4,5,6,7-tetrahydro-2H-isoindol-5-yl)acetamide (PubChem CID 15571644) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-2H-isoindol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-2H-isoindol-5-yl)acetamide
PubChem CID15571644
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-(4,5,6,7-tetrahydro-2H-isoindol-5-yl)acetamide
SMILESCC(=O)NC1CCc2c[nH]cc2C1
InChIInChI=1S/C10H14N2O/c1-7(13)12-10-3-2-8-5-11-6-9(8)4-10/h5-6,10-11H,2-4H2,1H3,(H,12,13)
InChIKeySXSQHRKRHHNSCO-UHFFFAOYSA-N
XLogP1.01
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(4,5,6,7-tetrahydro-2H-isoindol-5-yl)acetamide 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 N-(4,5,6,7-tetrahydro-2H-isoindol-5-yl)acetamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-2H-isoindol-5-yl)acetamide (CID 15571644) is N-(4,5,6,7-tetrahydro-2H-isoindol-5-yl)acetamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-2H-isoindol-5-yl)acetamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-2H-isoindol-5-yl)acetamide is CC(=O)NC1CCc2c[nH]cc2C1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-2H-isoindol-5-yl)acetamide?
The InChIKey is SXSQHRKRHHNSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(13)12-10-3-2-8-5-11-6-9(8)4-10/h5-6,10-11H,2-4H2,1H3,(H,12,13).
What are the key properties of N-(4,5,6,7-tetrahydro-2H-isoindol-5-yl)acetamide?
N-(4,5,6,7-tetrahydro-2H-isoindol-5-yl)acetamide has a molecular weight of 178.24 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-2H-isoindol-5-yl)acetamide is sourced from PubChem (CID 15571644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).