N-(cyanomethyl)-2-indol-1-ylacetamide

C12H11N3O — CID 55220475

IUPACN-(cyanomethyl)-2-indol-1-ylacetamide
SMILESN#CCNC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C12H11N3O/c13-6-7-14-12(16)9-15-8-5-10-3-1-2-4-11(10)15/h1-5,8H,7,9H2,(H,14,16)
InChIKeyLQGCRROUFRFPCW-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.28
Rot. Bonds3

About N-(cyanomethyl)-2-indol-1-ylacetamide

N-(cyanomethyl)-2-indol-1-ylacetamide (PubChem CID 55220475) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(cyanomethyl)-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-indol-1-ylacetamide
PubChem CID55220475
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC NameN-(cyanomethyl)-2-indol-1-ylacetamide
SMILESN#CCNC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C12H11N3O/c13-6-7-14-12(16)9-15-8-5-10-3-1-2-4-11(10)15/h1-5,8H,7,9H2,(H,14,16)
InChIKeyLQGCRROUFRFPCW-UHFFFAOYSA-N
XLogP1.28
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide
CID 114015835
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide
CID 114935885
2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110702432
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
N-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide
CID 111485881
4-[3-[(2-indol-1-ylacetyl)amino]prop-1-ynyl]-N,N-dimethylbenzamide
CID 90549934
7-[(2-indol-1-ylacetyl)amino]heptanoic acid
CID 119227491
N-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide
CID 71989531
N-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide
CID 71989714
N'-(2-indol-1-ylacetyl)-2-phenylacetohydrazide
CID 17080293

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-indol-1-ylacetamide?
The IUPAC name of N-(cyanomethyl)-2-indol-1-ylacetamide (CID 55220475) is N-(cyanomethyl)-2-indol-1-ylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-indol-1-ylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-indol-1-ylacetamide is N#CCNC(=O)Cn1ccc2ccccc21.
What is the InChIKey of N-(cyanomethyl)-2-indol-1-ylacetamide?
The InChIKey is LQGCRROUFRFPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-6-7-14-12(16)9-15-8-5-10-3-1-2-4-11(10)15/h1-5,8H,7,9H2,(H,14,16).
What are the key properties of N-(cyanomethyl)-2-indol-1-ylacetamide?
N-(cyanomethyl)-2-indol-1-ylacetamide has a molecular weight of 213.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-indol-1-ylacetamide is sourced from PubChem (CID 55220475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).