2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide

C12H12N4O — CID 114935885

IUPAC2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)Cn1ccc2cccc(N)c21
InChIInChI=1S/C12H12N4O/c13-5-6-15-11(17)8-16-7-4-9-2-1-3-10(14)12(9)16/h1-4,7H,6,8,14H2,(H,15,17)
InChIKeyZJAYFZXVNOWTME-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.86
Rot. Bonds3

About 2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide

2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide (PubChem CID 114935885) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide
PubChem CID114935885
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)Cn1ccc2cccc(N)c21
InChIInChI=1S/C12H12N4O/c13-5-6-15-11(17)8-16-7-4-9-2-1-3-10(14)12(9)16/h1-4,7H,6,8,14H2,(H,15,17)
InChIKeyZJAYFZXVNOWTME-UHFFFAOYSA-N
XLogP0.86
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(7-aminoindol-1-yl)acetate
CID 114935904
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 114935756
2-(7-aminoindol-1-yl)-N-(4-chlorophenyl)acetamide
CID 114935940
2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide
CID 114015835
N-ethyl-2-[7-(ethylaminomethyl)indol-1-yl]acetamide
CID 102914190
N-(2-methoxyethyl)-2-(7-methoxyindol-1-yl)acetamide
CID 39315359
2-(3-bromo-2-oxo-1-pyridinyl)-N-(cyanomethyl)acetamide
CID 114761020
N-butyl-2-(7-ethylindol-1-yl)acetamide
CID 116618934
2-(7-methoxyindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 39348357
1-[2-(cyanomethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
CID 82898006
2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 102913543

Frequently Asked Questions

What is the IUPAC name of 2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide (CID 114935885) is 2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide is N#CCNC(=O)Cn1ccc2cccc(N)c21.
What is the InChIKey of 2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide?
The InChIKey is ZJAYFZXVNOWTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-5-6-15-11(17)8-16-7-4-9-2-1-3-10(14)12(9)16/h1-4,7H,6,8,14H2,(H,15,17).
What are the key properties of 2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide?
2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide has a molecular weight of 228.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide is sourced from PubChem (CID 114935885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).