1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide

C17H21N3O3 — CID 86872705

IUPAC1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC1C(=O)Nc1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C17H21N3O3/c1-10(2)17(23)20-7-3-4-14(20)16(22)19-12-6-5-11-9-18-15(21)13(11)8-12/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUMFMGLJSXQBNSD-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.52
Rot. Bonds3

About 1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide

1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 86872705) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide
PubChem CID86872705
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC1C(=O)Nc1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C17H21N3O3/c1-10(2)17(23)20-7-3-4-14(20)16(22)19-12-6-5-11-9-18-15(21)13(11)8-12/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUMFMGLJSXQBNSD-UHFFFAOYSA-N
XLogP1.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide (CID 86872705) is 1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide is CC(C)C(=O)N1CCCC1C(=O)Nc1ccc2c(c1)C(=O)NC2.
What is the InChIKey of 1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is UMFMGLJSXQBNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10(2)17(23)20-7-3-4-14(20)16(22)19-12-6-5-11-9-18-15(21)13(11)8-12/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide?
1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 86872705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).