3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile

C14H15N3O2 — CID 116959261

IUPAC3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile
SMILESCNC(c1ccc2c(c1)CC(=O)N2)C1(C#N)COC1
InChIInChI=1S/C14H15N3O2/c1-16-13(14(6-15)7-19-8-14)9-2-3-11-10(4-9)5-12(18)17-11/h2-4,13,16H,5,7-8H2,1H3,(H,17,18)
InChIKeyPYLPGTZHOZHDIO-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.98
Rot. Bonds3

About 3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile

3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile (PubChem CID 116959261) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile
PubChem CID116959261
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile
SMILESCNC(c1ccc2c(c1)CC(=O)N2)C1(C#N)COC1
InChIInChI=1S/C14H15N3O2/c1-16-13(14(6-15)7-19-8-14)9-2-3-11-10(4-9)5-12(18)17-11/h2-4,13,16H,5,7-8H2,1H3,(H,17,18)
InChIKeyPYLPGTZHOZHDIO-UHFFFAOYSA-N
XLogP0.98
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[amino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile
CID 116944483
2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 116955002
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
N-methyl-2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82475513
5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one
CID 65151696
5-[furan-3-yl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484758
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

Frequently Asked Questions

What is the IUPAC name of 3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile (CID 116959261) is 3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile is CNC(c1ccc2c(c1)CC(=O)N2)C1(C#N)COC1.
What is the InChIKey of 3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile?
The InChIKey is PYLPGTZHOZHDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-16-13(14(6-15)7-19-8-14)9-2-3-11-10(4-9)5-12(18)17-11/h2-4,13,16H,5,7-8H2,1H3,(H,17,18).
What are the key properties of 3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile?
3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile has a molecular weight of 257.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 116959261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).