4-(1,3-dioxo-5H-isoindol-5-id-2-yl)-N-formylpentanamide;ethane;yttrium

C16H19N2O4Y- — CID 162747593

IUPAC4-(1,3-dioxo-5H-isoindol-5-id-2-yl)-N-formylpentanamide;ethane;yttrium
SMILESCC.CC(CCC(=O)NC=O)N1C(=O)c2c[c-]ccc2C1=O.[Y]
InChIInChI=1S/C14H13N2O4.C2H6.Y/c1-9(6-7-12(18)15-8-17)16-13(19)10-4-2-3-5-11(10)14(16)20;1-2;/h2,4-5,8-9H,6-7H2,1H3,(H,15,17,18);1-2H3;/q-1;;
InChIKeyLLKOJIYGVJJPSB-UHFFFAOYSA-N
MW392.24 g/mol
LogP1.55
Rot. Bonds5

About 4-(1,3-dioxo-5H-isoindol-5-id-2-yl)-N-formylpentanamide;ethane;yttrium

4-(1,3-dioxo-5H-isoindol-5-id-2-yl)-N-formylpentanamide;ethane;yttrium (PubChem CID 162747593) has the molecular formula C16H19N2O4Y- and a molecular weight of 392.24 g/mol. Its IUPAC name is 4-(1,3-dioxo-5H-isoindol-5-id-2-yl)-N-formylpentanamide;ethane;yttrium.

Molecular Properties

Compound Name4-(1,3-dioxo-5H-isoindol-5-id-2-yl)-N-formylpentanamide;ethane;yttrium
PubChem CID162747593
Molecular FormulaC16H19N2O4Y-
Molecular Weight392.24 g/mol
Exact Mass392.04
IUPAC Name4-(1,3-dioxo-5H-isoindol-5-id-2-yl)-N-formylpentanamide;ethane;yttrium
SMILESCC.CC(CCC(=O)NC=O)N1C(=O)c2c[c-]ccc2C1=O.[Y]
InChIInChI=1S/C14H13N2O4.C2H6.Y/c1-9(6-7-12(18)15-8-17)16-13(19)10-4-2-3-5-11(10)14(16)20;1-2;/h2,4-5,8-9H,6-7H2,1H3,(H,15,17,18);1-2H3;/q-1;;
InChIKeyLLKOJIYGVJJPSB-UHFFFAOYSA-N
XLogP1.55
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxo-5H-isoindol-5-id-2-yl)-N-formylpentanamide;ethane;yttrium?
The IUPAC name of 4-(1,3-dioxo-5H-isoindol-5-id-2-yl)-N-formylpentanamide;ethane;yttrium (CID 162747593) is 4-(1,3-dioxo-5H-isoindol-5-id-2-yl)-N-formylpentanamide;ethane;yttrium.
What is the SMILES notation for 4-(1,3-dioxo-5H-isoindol-5-id-2-yl)-N-formylpentanamide;ethane;yttrium?
The canonical SMILES for 4-(1,3-dioxo-5H-isoindol-5-id-2-yl)-N-formylpentanamide;ethane;yttrium is CC.CC(CCC(=O)NC=O)N1C(=O)c2c[c-]ccc2C1=O.[Y].
What is the InChIKey of 4-(1,3-dioxo-5H-isoindol-5-id-2-yl)-N-formylpentanamide;ethane;yttrium?
The InChIKey is LLKOJIYGVJJPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N2O4.C2H6.Y/c1-9(6-7-12(18)15-8-17)16-13(19)10-4-2-3-5-11(10)14(16)20;1-2;/h2,4-5,8-9H,6-7H2,1H3,(H,15,17,18);1-2H3;/q-1;;.
What are the key properties of 4-(1,3-dioxo-5H-isoindol-5-id-2-yl)-N-formylpentanamide;ethane;yttrium?
4-(1,3-dioxo-5H-isoindol-5-id-2-yl)-N-formylpentanamide;ethane;yttrium has a molecular weight of 392.24 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxo-5H-isoindol-5-id-2-yl)-N-formylpentanamide;ethane;yttrium is sourced from PubChem (CID 162747593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).