2-isoindol-2-ylacetamide

C10H10N2O — CID 57474101

IUPAC2-isoindol-2-ylacetamide
SMILESNC(=O)Cn1cc2ccccc2c1
InChIInChI=1S/C10H10N2O/c11-10(13)7-12-5-8-3-1-2-4-9(8)6-12/h1-6H,7H2,(H2,11,13)
InChIKeyIXTJKCUZXRJBDZ-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.13
Rot. Bonds2

About 2-isoindol-2-ylacetamide

2-isoindol-2-ylacetamide (PubChem CID 57474101) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-isoindol-2-ylacetamide.

Molecular Properties

Compound Name2-isoindol-2-ylacetamide
PubChem CID57474101
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-isoindol-2-ylacetamide
SMILESNC(=O)Cn1cc2ccccc2c1
InChIInChI=1S/C10H10N2O/c11-10(13)7-12-5-8-3-1-2-4-9(8)6-12/h1-6H,7H2,(H2,11,13)
InChIKeyIXTJKCUZXRJBDZ-UHFFFAOYSA-N
XLogP1.13
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-isoindol-2-ylacetamide?
The IUPAC name of 2-isoindol-2-ylacetamide (CID 57474101) is 2-isoindol-2-ylacetamide.
What is the SMILES notation for 2-isoindol-2-ylacetamide?
The canonical SMILES for 2-isoindol-2-ylacetamide is NC(=O)Cn1cc2ccccc2c1.
What is the InChIKey of 2-isoindol-2-ylacetamide?
The InChIKey is IXTJKCUZXRJBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-10(13)7-12-5-8-3-1-2-4-9(8)6-12/h1-6H,7H2,(H2,11,13).
What are the key properties of 2-isoindol-2-ylacetamide?
2-isoindol-2-ylacetamide has a molecular weight of 174.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoindol-2-ylacetamide is sourced from PubChem (CID 57474101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).