2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione

C10H8N4O2 — CID 167054962

IUPAC2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione
SMILESNc1cc2c([nH]1)-c1[nH]c(N)cc1C(=O)C2=O
InChIInChI=1S/C10H8N4O2/c11-5-1-3-7(13-5)8-4(2-6(12)14-8)10(16)9(3)15/h1-2,13-14H,11-12H2
InChIKeyYSPJKGJFGUNION-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.55
Rot. Bonds

About 2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione

2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione (PubChem CID 167054962) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione.

Molecular Properties

Compound Name2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione
PubChem CID167054962
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione
SMILESNc1cc2c([nH]1)-c1[nH]c(N)cc1C(=O)C2=O
InChIInChI=1S/C10H8N4O2/c11-5-1-3-7(13-5)8-4(2-6(12)14-8)10(16)9(3)15/h1-2,13-14H,11-12H2
InChIKeyYSPJKGJFGUNION-UHFFFAOYSA-N
XLogP0.55
TPSA117.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-6-fluoro-1H-indol-3-yl)ethanone
CID 143724347
1-(2-amino-5-phenyl-1H-pyrrol-3-yl)ethanone
CID 15269203
1-(2-amino-1H-indol-3-yl)ethanone
CID 15497271
6-Acetyl-2-aminocarbonylaminoindole-3-carboxamide
CID 59189775
2-amino-5-phenyl-1H-pyrrole-3-carboxamide
CID 59285897
2-Nitro-1,5,6,7-tetrahydroindol-4-one
CID 68150038
1-(5-amino-1H-pyrrol-2-yl)-3-phenylpropane-1,3-dione
CID 69957143
2-amino-5-(3-aminophenyl)-1H-pyrrole-3-carboxamide
CID 89132852
(2-amino-1H-indol-3-yl)-phenylmethanone
CID 131872886
1-(5-amino-2-methyl-1H-pyrrol-3-yl)-2-(3-aminophenyl)ethanone
CID 143078129
2-(carbamoylamino)-5-(3-methylideneindol-2-yl)-1H-pyrrole-3-carboxamide
CID 143948621
1-(2-amino-1H-indol-3-yl)-2-methylprop-2-en-1-one
CID 152490719

Frequently Asked Questions

What is the IUPAC name of 2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione?
The IUPAC name of 2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione (CID 167054962) is 2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione.
What is the SMILES notation for 2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione?
The canonical SMILES for 2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione is Nc1cc2c([nH]1)-c1[nH]c(N)cc1C(=O)C2=O.
What is the InChIKey of 2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione?
The InChIKey is YSPJKGJFGUNION-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c11-5-1-3-7(13-5)8-4(2-6(12)14-8)10(16)9(3)15/h1-2,13-14H,11-12H2.
What are the key properties of 2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione?
2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione has a molecular weight of 216.20 g/mol, XLogP of 0.55, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diamino-1,8-dihydropyrrolo[3,2-g]indole-4,5-dione is sourced from PubChem (CID 167054962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).