6-(3-cyclopropyl-2-hydroxypropyl)-2-(1-hydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C19H20N2O6 — CID 163300296

IUPAC6-(3-cyclopropyl-2-hydroxypropyl)-2-(1-hydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCC(CO)n1c(=O)c2cc3c(=O)n(CC(O)CC4CC4)c(=O)c3cc2c1=O
InChIInChI=1S/C19H20N2O6/c1-9(8-22)21-18(26)14-5-12-13(6-15(14)19(21)27)17(25)20(16(12)24)7-11(23)4-10-2-3-10/h5-6,9-11,22-23H,2-4,7-8H2,1H3
InChIKeyNSXZVRRTOPFZGW-UHFFFAOYSA-N
MW372.38 g/mol
LogP-0.37
Rot. Bonds6

About 6-(3-cyclopropyl-2-hydroxypropyl)-2-(1-hydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

6-(3-cyclopropyl-2-hydroxypropyl)-2-(1-hydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 163300296) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is 6-(3-cyclopropyl-2-hydroxypropyl)-2-(1-hydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name6-(3-cyclopropyl-2-hydroxypropyl)-2-(1-hydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID163300296
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name6-(3-cyclopropyl-2-hydroxypropyl)-2-(1-hydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCC(CO)n1c(=O)c2cc3c(=O)n(CC(O)CC4CC4)c(=O)c3cc2c1=O
InChIInChI=1S/C19H20N2O6/c1-9(8-22)21-18(26)14-5-12-13(6-15(14)19(21)27)17(25)20(16(12)24)7-11(23)4-10-2-3-10/h5-6,9-11,22-23H,2-4,7-8H2,1H3
InChIKeyNSXZVRRTOPFZGW-UHFFFAOYSA-N
XLogP-0.37
TPSA118.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropyl-2-hydroxypropyl)-2-(1-hydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 6-(3-cyclopropyl-2-hydroxypropyl)-2-(1-hydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 163300296) is 6-(3-cyclopropyl-2-hydroxypropyl)-2-(1-hydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 6-(3-cyclopropyl-2-hydroxypropyl)-2-(1-hydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 6-(3-cyclopropyl-2-hydroxypropyl)-2-(1-hydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is CC(CO)n1c(=O)c2cc3c(=O)n(CC(O)CC4CC4)c(=O)c3cc2c1=O.
What is the InChIKey of 6-(3-cyclopropyl-2-hydroxypropyl)-2-(1-hydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is NSXZVRRTOPFZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-9(8-22)21-18(26)14-5-12-13(6-15(14)19(21)27)17(25)20(16(12)24)7-11(23)4-10-2-3-10/h5-6,9-11,22-23H,2-4,7-8H2,1H3.
What are the key properties of 6-(3-cyclopropyl-2-hydroxypropyl)-2-(1-hydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
6-(3-cyclopropyl-2-hydroxypropyl)-2-(1-hydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 372.38 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropyl-2-hydroxypropyl)-2-(1-hydroxypropan-2-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 163300296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).