N-(2-acetyl-4,5,6,7-tetrahydroisoindol-5-yl)acetamide

C12H16N2O2 — CID 23463963

IUPACN-(2-acetyl-4,5,6,7-tetrahydroisoindol-5-yl)acetamide
SMILESCC(=O)NC1CCc2cn(C(C)=O)cc2C1
InChIInChI=1S/C12H16N2O2/c1-8(15)13-12-4-3-10-6-14(9(2)16)7-11(10)5-12/h6-7,12H,3-5H2,1-2H3,(H,13,15)
InChIKeyWFEMWRNOHHKZRM-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.14
Rot. Bonds1

About N-(2-acetyl-4,5,6,7-tetrahydroisoindol-5-yl)acetamide

N-(2-acetyl-4,5,6,7-tetrahydroisoindol-5-yl)acetamide (PubChem CID 23463963) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(2-acetyl-4,5,6,7-tetrahydroisoindol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetyl-4,5,6,7-tetrahydroisoindol-5-yl)acetamide
PubChem CID23463963
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(2-acetyl-4,5,6,7-tetrahydroisoindol-5-yl)acetamide
SMILESCC(=O)NC1CCc2cn(C(C)=O)cc2C1
InChIInChI=1S/C12H16N2O2/c1-8(15)13-12-4-3-10-6-14(9(2)16)7-11(10)5-12/h6-7,12H,3-5H2,1-2H3,(H,13,15)
InChIKeyWFEMWRNOHHKZRM-UHFFFAOYSA-N
XLogP1.14
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-4,5,6,7-tetrahydroisoindol-5-yl)acetamide?
The IUPAC name of N-(2-acetyl-4,5,6,7-tetrahydroisoindol-5-yl)acetamide (CID 23463963) is N-(2-acetyl-4,5,6,7-tetrahydroisoindol-5-yl)acetamide.
What is the SMILES notation for N-(2-acetyl-4,5,6,7-tetrahydroisoindol-5-yl)acetamide?
The canonical SMILES for N-(2-acetyl-4,5,6,7-tetrahydroisoindol-5-yl)acetamide is CC(=O)NC1CCc2cn(C(C)=O)cc2C1.
What is the InChIKey of N-(2-acetyl-4,5,6,7-tetrahydroisoindol-5-yl)acetamide?
The InChIKey is WFEMWRNOHHKZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(15)13-12-4-3-10-6-14(9(2)16)7-11(10)5-12/h6-7,12H,3-5H2,1-2H3,(H,13,15).
What are the key properties of N-(2-acetyl-4,5,6,7-tetrahydroisoindol-5-yl)acetamide?
N-(2-acetyl-4,5,6,7-tetrahydroisoindol-5-yl)acetamide has a molecular weight of 220.27 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-4,5,6,7-tetrahydroisoindol-5-yl)acetamide is sourced from PubChem (CID 23463963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).