2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile

C11H11N3O — CID 116955002

IUPAC2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
SMILESCNC(C#N)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H11N3O/c1-13-10(6-12)7-2-3-9-8(4-7)5-11(15)14-9/h2-4,10,13H,5H2,1H3,(H,14,15)
InChIKeyJTAQVJHDGWPWAO-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.97
Rot. Bonds2

About 2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile

2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile (PubChem CID 116955002) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
PubChem CID116955002
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
SMILESCNC(C#N)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H11N3O/c1-13-10(6-12)7-2-3-9-8(4-7)5-11(15)14-9/h2-4,10,13H,5H2,1H3,(H,14,15)
InChIKeyJTAQVJHDGWPWAO-UHFFFAOYSA-N
XLogP0.97
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82475513
3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile
CID 116959261
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
2-amino-N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 116850390
5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484843
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484803
2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116953331
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 79660978
5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 116949019
5-[furan-3-yl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484758
5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one
CID 65151696

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile?
The IUPAC name of 2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile (CID 116955002) is 2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile.
What is the SMILES notation for 2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile?
The canonical SMILES for 2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile is CNC(C#N)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile?
The InChIKey is JTAQVJHDGWPWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-13-10(6-12)7-2-3-9-8(4-7)5-11(15)14-9/h2-4,10,13H,5H2,1H3,(H,14,15).
What are the key properties of 2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile?
2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile has a molecular weight of 201.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile is sourced from PubChem (CID 116955002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).