2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide

C13H12N4O — CID 6278267

IUPAC2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CC#N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H12N4O/c1-9(16-17-13(18)4-6-14)11-3-2-10-5-7-15-12(10)8-11/h2-3,5,7-8,15H,4H2,1H3,(H,17,18)/b16-9-
InChIKeyXCDWETNZHZNRMY-SXGWCWSVSA-N
MW240.27 g/mol
LogP1.92
Rot. Bonds3

About 2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide

2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide (PubChem CID 6278267) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide
PubChem CID6278267
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CC#N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H12N4O/c1-9(16-17-13(18)4-6-14)11-3-2-10-5-7-15-12(10)8-11/h2-3,5,7-8,15H,4H2,1H3,(H,17,18)/b16-9-
InChIKeyXCDWETNZHZNRMY-SXGWCWSVSA-N
XLogP1.92
TPSA81.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 92664451
2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide
CID 8022911
2-cyano-N-[1-(4-phenoxyphenyl)ethylideneamino]acetamide
CID 5171584
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
2-cyano-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 2848867
ethane;1H-indole-6-carboxylic acid
CID 142472960
2-cyano-N-[1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide
CID 75601364
acetic acid;1H-indole-6-carbonitrile
CID 175244295
N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide
CID 172984598
N-[bis(6-methyl-2-pyridinyl)methylideneamino]-2-cyanoacetamide
CID 162738340
N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide
CID 5201296

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide (CID 6278267) is 2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide is C/C(=N/NC(=O)CC#N)c1ccc2cc[nH]c2c1.
What is the InChIKey of 2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide?
The InChIKey is XCDWETNZHZNRMY-SXGWCWSVSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9(16-17-13(18)4-6-14)11-3-2-10-5-7-15-12(10)8-11/h2-3,5,7-8,15H,4H2,1H3,(H,17,18)/b16-9-.
What are the key properties of 2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide?
2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide has a molecular weight of 240.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide is sourced from PubChem (CID 6278267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).