1-(5,6-diamino-2,3-dihydroindol-1-yl)ethanone

C10H13N3O — CID 11701178

IUPAC1-(5,6-diamino-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(N)c(N)cc21
InChIInChI=1S/C10H13N3O/c1-6(14)13-3-2-7-4-8(11)9(12)5-10(7)13/h4-5H,2-3,11-12H2,1H3
InChIKeyIGJNLESDIJAKGE-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.76
Rot. Bonds

About 1-(5,6-diamino-2,3-dihydroindol-1-yl)ethanone

1-(5,6-diamino-2,3-dihydroindol-1-yl)ethanone (PubChem CID 11701178) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(5,6-diamino-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-diamino-2,3-dihydroindol-1-yl)ethanone
PubChem CID11701178
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(5,6-diamino-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(N)c(N)cc21
InChIInChI=1S/C10H13N3O/c1-6(14)13-3-2-7-4-8(11)9(12)5-10(7)13/h4-5H,2-3,11-12H2,1H3
InChIKeyIGJNLESDIJAKGE-UHFFFAOYSA-N
XLogP0.76
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-diamino-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(5,6-diamino-2,3-dihydroindol-1-yl)ethanone (CID 11701178) is 1-(5,6-diamino-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(5,6-diamino-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(5,6-diamino-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2cc(N)c(N)cc21.
What is the InChIKey of 1-(5,6-diamino-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is IGJNLESDIJAKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6(14)13-3-2-7-4-8(11)9(12)5-10(7)13/h4-5H,2-3,11-12H2,1H3.
What are the key properties of 1-(5,6-diamino-2,3-dihydroindol-1-yl)ethanone?
1-(5,6-diamino-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 191.23 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-diamino-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 11701178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).