3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide

C14H16N2O3 — CID 122186783

IUPAC3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(CC1CCCO1)C2
InChIInChI=1S/C14H16N2O3/c15-13(17)11-5-1-3-9-7-16(14(18)12(9)11)8-10-4-2-6-19-10/h1,3,5,10H,2,4,6-8H2,(H2,15,17)
InChIKeyOZYHJESEJQARLF-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.92
Rot. Bonds3

About 3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide

3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide (PubChem CID 122186783) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
PubChem CID122186783
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(CC1CCCO1)C2
InChIInChI=1S/C14H16N2O3/c15-13(17)11-5-1-3-9-7-16(14(18)12(9)11)8-10-4-2-6-19-10/h1,3,5,10H,2,4,6-8H2,(H2,15,17)
InChIKeyOZYHJESEJQARLF-UHFFFAOYSA-N
XLogP0.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide?
The IUPAC name of 3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide (CID 122186783) is 3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for 3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for 3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide is NC(=O)c1cccc2c1C(=O)N(CC1CCCO1)C2.
What is the InChIKey of 3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide?
The InChIKey is OZYHJESEJQARLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-13(17)11-5-1-3-9-7-16(14(18)12(9)11)8-10-4-2-6-19-10/h1,3,5,10H,2,4,6-8H2,(H2,15,17).
What are the key properties of 3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide?
3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 122186783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).