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

C13H13N3O2 — CID 116944483

IUPAC3-[amino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile
SMILESN#CC1(C(N)c2ccc3c(c2)CC(=O)N3)COC1
InChIInChI=1S/C13H13N3O2/c14-5-13(6-18-7-13)12(15)8-1-2-10-9(3-8)4-11(17)16-10/h1-3,12H,4,6-7,15H2,(H,16,17)
InChIKeyOKKBMXXOTRIRKO-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.72
Rot. Bonds2

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

3-[amino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile (PubChem CID 116944483) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-[amino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[amino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile
PubChem CID116944483
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-[amino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile
SMILESN#CC1(C(N)c2ccc3c(c2)CC(=O)N3)COC1
InChIInChI=1S/C13H13N3O2/c14-5-13(6-18-7-13)12(15)8-1-2-10-9(3-8)4-11(17)16-10/h1-3,12H,4,6-7,15H2,(H,16,17)
InChIKeyOKKBMXXOTRIRKO-UHFFFAOYSA-N
XLogP0.72
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methylamino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile
CID 116959261
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43198852
2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 116955002
5-[amino(naphthalen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43824898
5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one
CID 116872639
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
3-[amino(3H-benzimidazol-5-yl)methyl]oxetane-3-carbonitrile
CID 116944526
5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one
CID 63744714
5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 43096298
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[amino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile (CID 116944483) is 3-[amino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[amino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[amino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile is N#CC1(C(N)c2ccc3c(c2)CC(=O)N3)COC1.
What is the InChIKey of 3-[amino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile?
The InChIKey is OKKBMXXOTRIRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-5-13(6-18-7-13)12(15)8-1-2-10-9(3-8)4-11(17)16-10/h1-3,12H,4,6-7,15H2,(H,16,17).
What are the key properties of 3-[amino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile?
3-[amino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 116944483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).