N-(1,3-dihydroisoindol-2-yl)acetamide

C10H12N2O — CID 87249577

IUPACN-(1,3-dihydroisoindol-2-yl)acetamide
SMILESCC(=O)NN1Cc2ccccc2C1
InChIInChI=1S/C10H12N2O/c1-8(13)11-12-6-9-4-2-3-5-10(9)7-12/h2-5H,6-7H2,1H3,(H,11,13)
InChIKeyKXOXSUKAXXZBJE-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.05
Rot. Bonds1

About N-(1,3-dihydroisoindol-2-yl)acetamide

N-(1,3-dihydroisoindol-2-yl)acetamide (PubChem CID 87249577) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-(1,3-dihydroisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dihydroisoindol-2-yl)acetamide
PubChem CID87249577
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-(1,3-dihydroisoindol-2-yl)acetamide
SMILESCC(=O)NN1Cc2ccccc2C1
InChIInChI=1S/C10H12N2O/c1-8(13)11-12-6-9-4-2-3-5-10(9)7-12/h2-5H,6-7H2,1H3,(H,11,13)
InChIKeyKXOXSUKAXXZBJE-UHFFFAOYSA-N
XLogP1.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroisoindol-2-yl)acetamide?
The IUPAC name of N-(1,3-dihydroisoindol-2-yl)acetamide (CID 87249577) is N-(1,3-dihydroisoindol-2-yl)acetamide.
What is the SMILES notation for N-(1,3-dihydroisoindol-2-yl)acetamide?
The canonical SMILES for N-(1,3-dihydroisoindol-2-yl)acetamide is CC(=O)NN1Cc2ccccc2C1.
What is the InChIKey of N-(1,3-dihydroisoindol-2-yl)acetamide?
The InChIKey is KXOXSUKAXXZBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8(13)11-12-6-9-4-2-3-5-10(9)7-12/h2-5H,6-7H2,1H3,(H,11,13).
What are the key properties of N-(1,3-dihydroisoindol-2-yl)acetamide?
N-(1,3-dihydroisoindol-2-yl)acetamide has a molecular weight of 176.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroisoindol-2-yl)acetamide is sourced from PubChem (CID 87249577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).