2,6-bis(oxolan-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C20H20N2O6 — CID 2943525

IUPAC2,6-bis(oxolan-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(CC4CCCO4)c(=O)c3cc2c(=O)n1CC1CCCO1
InChIInChI=1S/C20H20N2O6/c23-17-13-7-15-16(20(26)22(19(15)25)10-12-4-2-6-28-12)8-14(13)18(24)21(17)9-11-3-1-5-27-11/h7-8,11-12H,1-6,9-10H2
InChIKeyKYCNNXOMFXBVGL-UHFFFAOYSA-N
MW384.39 g/mol
LogP0.27
Rot. Bonds4

About 2,6-bis(oxolan-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2,6-bis(oxolan-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 2943525) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2,6-bis(oxolan-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-bis(oxolan-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID2943525
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name2,6-bis(oxolan-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(CC4CCCO4)c(=O)c3cc2c(=O)n1CC1CCCO1
InChIInChI=1S/C20H20N2O6/c23-17-13-7-15-16(20(26)22(19(15)25)10-12-4-2-6-28-12)8-14(13)18(24)21(17)9-11-3-1-5-27-11/h7-8,11-12H,1-6,9-10H2
InChIKeyKYCNNXOMFXBVGL-UHFFFAOYSA-N
XLogP0.27
TPSA96.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(oxolan-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-bis(oxolan-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 2943525) is 2,6-bis(oxolan-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-bis(oxolan-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-bis(oxolan-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is O=c1c2cc3c(=O)n(CC4CCCO4)c(=O)c3cc2c(=O)n1CC1CCCO1.
What is the InChIKey of 2,6-bis(oxolan-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is KYCNNXOMFXBVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c23-17-13-7-15-16(20(26)22(19(15)25)10-12-4-2-6-28-12)8-14(13)18(24)21(17)9-11-3-1-5-27-11/h7-8,11-12H,1-6,9-10H2.
What are the key properties of 2,6-bis(oxolan-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-bis(oxolan-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 384.39 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(oxolan-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 2943525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).