1,7-diacetyl-3,5-dihydropyrrolo[3,2-f]indole-2,6-dione

C14H12N2O4 — CID 2749631

IUPAC1,7-diacetyl-3,5-dihydropyrrolo[3,2-f]indole-2,6-dione
SMILESCC(=O)N1C(=O)Cc2cc3c(cc21)N(C(C)=O)C(=O)C3
InChIInChI=1S/C14H12N2O4/c1-7(17)15-11-6-12-10(3-9(11)4-13(15)19)5-14(20)16(12)8(2)18/h3,6H,4-5H2,1-2H3
InChIKeyZWASCRGDWZGHNI-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.56
Rot. Bonds

About 1,7-diacetyl-3,5-dihydropyrrolo[3,2-f]indole-2,6-dione

1,7-diacetyl-3,5-dihydropyrrolo[3,2-f]indole-2,6-dione (PubChem CID 2749631) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 1,7-diacetyl-3,5-dihydropyrrolo[3,2-f]indole-2,6-dione.

Molecular Properties

Compound Name1,7-diacetyl-3,5-dihydropyrrolo[3,2-f]indole-2,6-dione
PubChem CID2749631
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name1,7-diacetyl-3,5-dihydropyrrolo[3,2-f]indole-2,6-dione
SMILESCC(=O)N1C(=O)Cc2cc3c(cc21)N(C(C)=O)C(=O)C3
InChIInChI=1S/C14H12N2O4/c1-7(17)15-11-6-12-10(3-9(11)4-13(15)19)5-14(20)16(12)8(2)18/h3,6H,4-5H2,1-2H3
InChIKeyZWASCRGDWZGHNI-UHFFFAOYSA-N
XLogP0.56
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,7-diacetyl-3,5-dihydropyrrolo[3,2-f]indole-2,6-dione?
The IUPAC name of 1,7-diacetyl-3,5-dihydropyrrolo[3,2-f]indole-2,6-dione (CID 2749631) is 1,7-diacetyl-3,5-dihydropyrrolo[3,2-f]indole-2,6-dione.
What is the SMILES notation for 1,7-diacetyl-3,5-dihydropyrrolo[3,2-f]indole-2,6-dione?
The canonical SMILES for 1,7-diacetyl-3,5-dihydropyrrolo[3,2-f]indole-2,6-dione is CC(=O)N1C(=O)Cc2cc3c(cc21)N(C(C)=O)C(=O)C3.
What is the InChIKey of 1,7-diacetyl-3,5-dihydropyrrolo[3,2-f]indole-2,6-dione?
The InChIKey is ZWASCRGDWZGHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-7(17)15-11-6-12-10(3-9(11)4-13(15)19)5-14(20)16(12)8(2)18/h3,6H,4-5H2,1-2H3.
What are the key properties of 1,7-diacetyl-3,5-dihydropyrrolo[3,2-f]indole-2,6-dione?
1,7-diacetyl-3,5-dihydropyrrolo[3,2-f]indole-2,6-dione has a molecular weight of 272.26 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diacetyl-3,5-dihydropyrrolo[3,2-f]indole-2,6-dione is sourced from PubChem (CID 2749631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).