N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide

C13H13N3O2 — CID 82477992

IUPACN-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
SMILESCN1C(=O)Cc2cc(CC(=O)NCC#N)ccc21
InChIInChI=1S/C13H13N3O2/c1-16-11-3-2-9(6-10(11)8-13(16)18)7-12(17)15-5-4-14/h2-3,6H,5,7-8H2,1H3,(H,15,17)
InChIKeyADPNPLUIEKVIQI-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.39
Rot. Bonds3

About N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide

N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide (PubChem CID 82477992) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
PubChem CID82477992
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
SMILESCN1C(=O)Cc2cc(CC(=O)NCC#N)ccc21
InChIInChI=1S/C13H13N3O2/c1-16-11-3-2-9(6-10(11)8-13(16)18)7-12(17)15-5-4-14/h2-3,6H,5,7-8H2,1H3,(H,15,17)
InChIKeyADPNPLUIEKVIQI-UHFFFAOYSA-N
XLogP0.39
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.39
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

N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
2-(1-methyl-2-oxo-3H-indol-5-yl)-N-(2-phenylethyl)acetamide
CID 110768281
N-(3-cyanophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768390
N-(4-acetamidophenyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768364
4-(1-methyl-2-oxo-3H-indol-5-yl)butanenitrile
CID 82471108
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
CID 110781420
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl bromide
CID 115193913
methyl 4-(1-methyl-2-oxo-3H-indol-5-yl)butanoate
CID 82350338
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide (CID 82477992) is N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide is CN1C(=O)Cc2cc(CC(=O)NCC#N)ccc21.
What is the InChIKey of N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
The InChIKey is ADPNPLUIEKVIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16-11-3-2-9(6-10(11)8-13(16)18)7-12(17)15-5-4-14/h2-3,6H,5,7-8H2,1H3,(H,15,17).
What are the key properties of N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide?
N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide has a molecular weight of 243.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide is sourced from PubChem (CID 82477992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).