2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile

C13H11N5O — CID 169337871

IUPAC2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile
SMILESCC(=O)N1CCc2ccc(NN=C(C#N)C#N)cc21
InChIInChI=1S/C13H11N5O/c1-9(19)18-5-4-10-2-3-11(6-13(10)18)16-17-12(7-14)8-15/h2-3,6,16H,4-5H2,1H3
InChIKeyQMOHHVHYXCNOTA-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.41
Rot. Bonds2

About 2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile

2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile (PubChem CID 169337871) has the molecular formula C13H11N5O and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile
PubChem CID169337871
Molecular FormulaC13H11N5O
Molecular Weight253.26 g/mol
Exact Mass253.10
IUPAC Name2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile
SMILESCC(=O)N1CCc2ccc(NN=C(C#N)C#N)cc21
InChIInChI=1S/C13H11N5O/c1-9(19)18-5-4-10-2-3-11(6-13(10)18)16-17-12(7-14)8-15/h2-3,6,16H,4-5H2,1H3
InChIKeyQMOHHVHYXCNOTA-UHFFFAOYSA-N
XLogP1.41
TPSA92.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile
CID 169337813
2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile
CID 169339335
2-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile
CID 169339249
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537032
1-(6-isocyano-2,3-dihydroindol-1-yl)ethanone
CID 59468783
1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 67223454
1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone
CID 110627257
methyl N-[4-[(1-acetyl-2,3-dihydroindol-6-yl)sulfamoyl]phenyl]carbamate
CID 91624470
1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide
CID 45260042
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide
CID 110307285
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile (CID 169337871) is 2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile is CC(=O)N1CCc2ccc(NN=C(C#N)C#N)cc21.
What is the InChIKey of 2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile?
The InChIKey is QMOHHVHYXCNOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-9(19)18-5-4-10-2-3-11(6-13(10)18)16-17-12(7-14)8-15/h2-3,6,16H,4-5H2,1H3.
What are the key properties of 2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile?
2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile has a molecular weight of 253.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).