5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide

C11H9N3O2 — CID 115172000

IUPAC5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide
SMILESCNc1ccc2c(c1)CC(=O)N2C(=O)C#N
InChIInChI=1S/C11H9N3O2/c1-13-8-2-3-9-7(4-8)5-10(15)14(9)11(16)6-12/h2-4,13H,5H2,1H3
InChIKeyTZFXFHXGNHZCET-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.67
Rot. Bonds1

About 5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide

5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide (PubChem CID 115172000) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide.

Molecular Properties

Compound Name5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide
PubChem CID115172000
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide
SMILESCNc1ccc2c(c1)CC(=O)N2C(=O)C#N
InChIInChI=1S/C11H9N3O2/c1-13-8-2-3-9-7(4-8)5-10(15)14(9)11(16)6-12/h2-4,13H,5H2,1H3
InChIKeyTZFXFHXGNHZCET-UHFFFAOYSA-N
XLogP0.67
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminobutanoyl)-5-(methylamino)-3H-indol-2-one
CID 115155191
methyl 6-(methylamino)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 115190471
6-(methylamino)-1-[3-(methylamino)propanoyl]-3,4-dihydroquinolin-2-one
CID 115153207
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
5-acetamido-2-oxo-3H-indole-1-carboxamide
CID 70381945
1-(aminomethyl)-5-(methylamino)-3H-indol-2-one
CID 115225548
3-[5-(methylamino)-2-oxo-3H-indol-1-yl]cyclobutane-1-carboxylic acid
CID 117042878
(E)-4-[5-(methylamino)-2-oxo-3H-indol-1-yl]but-2-enoic acid
CID 115236990
4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile
CID 117038333
6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one
CID 115235513
methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate
CID 115142469
1-[[1-(aminomethyl)cyclopropyl]methyl]-5-(methylamino)-3H-indol-2-one
CID 115243978

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide?
The IUPAC name of 5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide (CID 115172000) is 5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide.
What is the SMILES notation for 5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide?
The canonical SMILES for 5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide is CNc1ccc2c(c1)CC(=O)N2C(=O)C#N.
What is the InChIKey of 5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide?
The InChIKey is TZFXFHXGNHZCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-13-8-2-3-9-7(4-8)5-10(15)14(9)11(16)6-12/h2-4,13H,5H2,1H3.
What are the key properties of 5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide?
5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide has a molecular weight of 215.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-oxo-3H-indole-1-carbonyl cyanide is sourced from PubChem (CID 115172000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).