1,7-dimethoxypyrrolo[3,4-f]isoindole-3,5-diimine

C12H10N4O2 — CID 23995174

IUPAC1,7-dimethoxypyrrolo[3,4-f]isoindole-3,5-diimine
SMILES[H]/N=c1\nc(OC)c2cc3c(OC)n/c(=N\[H])c3cc12
InChIInChI=1S/C12H10N4O2/c1-17-11-7-4-8-6(3-5(7)9(13)15-11)10(14)16-12(8)18-2/h3-4,13-14H,1-2H3/b13-9-,14-10-
InChIKeyBNDCOMZZHSMFGK-FOIMCPNXSA-N
MW242.24 g/mol
LogP0.63
Rot. Bonds2

About 1,7-dimethoxypyrrolo[3,4-f]isoindole-3,5-diimine

1,7-dimethoxypyrrolo[3,4-f]isoindole-3,5-diimine (PubChem CID 23995174) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 1,7-dimethoxypyrrolo[3,4-f]isoindole-3,5-diimine.

Molecular Properties

Compound Name1,7-dimethoxypyrrolo[3,4-f]isoindole-3,5-diimine
PubChem CID23995174
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name1,7-dimethoxypyrrolo[3,4-f]isoindole-3,5-diimine
SMILES[H]/N=c1\nc(OC)c2cc3c(OC)n/c(=N\[H])c3cc12
InChIInChI=1S/C12H10N4O2/c1-17-11-7-4-8-6(3-5(7)9(13)15-11)10(14)16-12(8)18-2/h3-4,13-14H,1-2H3/b13-9-,14-10-
InChIKeyBNDCOMZZHSMFGK-FOIMCPNXSA-N
XLogP0.63
TPSA91.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethoxypyrrolo[3,4-f]isoindole-3,5-diimine?
The IUPAC name of 1,7-dimethoxypyrrolo[3,4-f]isoindole-3,5-diimine (CID 23995174) is 1,7-dimethoxypyrrolo[3,4-f]isoindole-3,5-diimine.
What is the SMILES notation for 1,7-dimethoxypyrrolo[3,4-f]isoindole-3,5-diimine?
The canonical SMILES for 1,7-dimethoxypyrrolo[3,4-f]isoindole-3,5-diimine is [H]/N=c1\nc(OC)c2cc3c(OC)n/c(=N\[H])c3cc12.
What is the InChIKey of 1,7-dimethoxypyrrolo[3,4-f]isoindole-3,5-diimine?
The InChIKey is BNDCOMZZHSMFGK-FOIMCPNXSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-17-11-7-4-8-6(3-5(7)9(13)15-11)10(14)16-12(8)18-2/h3-4,13-14H,1-2H3/b13-9-,14-10-.
What are the key properties of 1,7-dimethoxypyrrolo[3,4-f]isoindole-3,5-diimine?
1,7-dimethoxypyrrolo[3,4-f]isoindole-3,5-diimine has a molecular weight of 242.24 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethoxypyrrolo[3,4-f]isoindole-3,5-diimine is sourced from PubChem (CID 23995174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).