2-(1-methylindol-3-yl)acetyl cyanide

C12H10N2O — CID 71772687

IUPAC2-(1-methylindol-3-yl)acetyl cyanide
SMILESCn1cc(CC(=O)C#N)c2ccccc21
InChIInChI=1S/C12H10N2O/c1-14-8-9(6-10(15)7-13)11-4-2-3-5-12(11)14/h2-5,8H,6H2,1H3
InChIKeyBVGKFWCTNCHCNG-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.81
Rot. Bonds2

About 2-(1-methylindol-3-yl)acetyl cyanide

2-(1-methylindol-3-yl)acetyl cyanide (PubChem CID 71772687) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)acetyl cyanide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)acetyl cyanide
PubChem CID71772687
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name2-(1-methylindol-3-yl)acetyl cyanide
SMILESCn1cc(CC(=O)C#N)c2ccccc21
InChIInChI=1S/C12H10N2O/c1-14-8-9(6-10(15)7-13)11-4-2-3-5-12(11)14/h2-5,8H,6H2,1H3
InChIKeyBVGKFWCTNCHCNG-UHFFFAOYSA-N
XLogP1.81
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(1-methylindol-3-yl)acetohydrazide
CID 116844810
3-anilino-2-[(1-methylindol-3-yl)methyl]prop-2-enenitrile
CID 67936950
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
N-cyclopropyl-N-methyl-2-(1-methylindol-3-yl)acetamide
CID 67395295
3-methyl-5-(1-methylindol-3-yl)pentan-2-one
CID 58492260
N-(5-cyano-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide
CID 90603505
4-(1-methylindol-3-yl)butanamide
CID 175206986
N-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide
CID 134971385
N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide
CID 90537865
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)acetyl cyanide?
The IUPAC name of 2-(1-methylindol-3-yl)acetyl cyanide (CID 71772687) is 2-(1-methylindol-3-yl)acetyl cyanide.
What is the SMILES notation for 2-(1-methylindol-3-yl)acetyl cyanide?
The canonical SMILES for 2-(1-methylindol-3-yl)acetyl cyanide is Cn1cc(CC(=O)C#N)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)acetyl cyanide?
The InChIKey is BVGKFWCTNCHCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-14-8-9(6-10(15)7-13)11-4-2-3-5-12(11)14/h2-5,8H,6H2,1H3.
What are the key properties of 2-(1-methylindol-3-yl)acetyl cyanide?
2-(1-methylindol-3-yl)acetyl cyanide has a molecular weight of 198.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)acetyl cyanide is sourced from PubChem (CID 71772687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).