2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C15H20N2O4 — CID 165066524

IUPAC2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCCC(CC)N1C(=O)C2CC3C(=O)NC(=O)C3CC2C1=O
InChIInChI=1S/C15H20N2O4/c1-3-7(4-2)17-14(20)10-5-8-9(6-11(10)15(17)21)13(19)16-12(8)18/h7-11H,3-6H2,1-2H3,(H,16,18,19)
InChIKeySBBLCHKBCJITDH-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.46
Rot. Bonds3

About 2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 165066524) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID165066524
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCCC(CC)N1C(=O)C2CC3C(=O)NC(=O)C3CC2C1=O
InChIInChI=1S/C15H20N2O4/c1-3-7(4-2)17-14(20)10-5-8-9(6-11(10)15(17)21)13(19)16-12(8)18/h7-11H,3-6H2,1-2H3,(H,16,18,19)
InChIKeySBBLCHKBCJITDH-UHFFFAOYSA-N
XLogP0.46
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

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Related Compounds

3-[(2S)-1-hydroxybutan-2-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 107861617
(3aS,4aR,7aS,8aR)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 102422386
2-[(2R)-1-hydroxybutan-2-yl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 107861671
6-(9,10-dimethyloctadecyl)-2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 167042078
(3aS,7aR)-2-[(2R)-1-hydroxybutan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 107861673
2-(1-hydroxybutan-2-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 61207522
3-but-3-yn-2-yl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 114419200
2-(1-hydroxypentan-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 113496250
(1S,6R)-3-(2-methylpropyl)-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
CID 10511637
3-(1-aminobutan-2-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836979
5-methylidene-1-pentan-3-ylpyrrolidin-2-one
CID 89100562
(1R,6S)-4,5-dimethyl-3-azabicyclo[4.1.0]hept-4-en-2-one
CID 167003093

Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 165066524) is 2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is CCC(CC)N1C(=O)C2CC3C(=O)NC(=O)C3CC2C1=O.
What is the InChIKey of 2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is SBBLCHKBCJITDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-7(4-2)17-14(20)10-5-8-9(6-11(10)15(17)21)13(19)16-12(8)18/h7-11H,3-6H2,1-2H3,(H,16,18,19).
What are the key properties of 2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 292.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 165066524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).