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

C14H15N3O2 — CID 115247987

IUPAC3-[[(2-oxo-1,3-dihydroindol-5-yl)methylamino]methyl]oxetane-3-carbonitrile
SMILESN#CC1(CNCc2ccc3c(c2)CC(=O)N3)COC1
InChIInChI=1S/C14H15N3O2/c15-6-14(8-19-9-14)7-16-5-10-1-2-12-11(3-10)4-13(18)17-12/h1-3,16H,4-5,7-9H2,(H,17,18)
InChIKeyIZJXDQWOXFRAFB-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.81
Rot. Bonds4

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

3-[[(2-oxo-1,3-dihydroindol-5-yl)methylamino]methyl]oxetane-3-carbonitrile (PubChem CID 115247987) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[[(2-oxo-1,3-dihydroindol-5-yl)methylamino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[(2-oxo-1,3-dihydroindol-5-yl)methylamino]methyl]oxetane-3-carbonitrile
PubChem CID115247987
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-[[(2-oxo-1,3-dihydroindol-5-yl)methylamino]methyl]oxetane-3-carbonitrile
SMILESN#CC1(CNCc2ccc3c(c2)CC(=O)N3)COC1
InChIInChI=1S/C14H15N3O2/c15-6-14(8-19-9-14)7-16-5-10-1-2-12-11(3-10)4-13(18)17-12/h1-3,16H,4-5,7-9H2,(H,17,18)
InChIKeyIZJXDQWOXFRAFB-UHFFFAOYSA-N
XLogP0.81
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one
CID 115244726
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284
5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115204416
4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115218605
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]acetonitrile
CID 115130975
5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one
CID 115209941
3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115219921
2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 115136555
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
5-[3-(2-sulfanylethyl)oxetan-3-yl]-1,3-dihydroindol-2-one
CID 116872550

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-oxo-1,3-dihydroindol-5-yl)methylamino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[(2-oxo-1,3-dihydroindol-5-yl)methylamino]methyl]oxetane-3-carbonitrile (CID 115247987) is 3-[[(2-oxo-1,3-dihydroindol-5-yl)methylamino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[(2-oxo-1,3-dihydroindol-5-yl)methylamino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[(2-oxo-1,3-dihydroindol-5-yl)methylamino]methyl]oxetane-3-carbonitrile is N#CC1(CNCc2ccc3c(c2)CC(=O)N3)COC1.
What is the InChIKey of 3-[[(2-oxo-1,3-dihydroindol-5-yl)methylamino]methyl]oxetane-3-carbonitrile?
The InChIKey is IZJXDQWOXFRAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-6-14(8-19-9-14)7-16-5-10-1-2-12-11(3-10)4-13(18)17-12/h1-3,16H,4-5,7-9H2,(H,17,18).
What are the key properties of 3-[[(2-oxo-1,3-dihydroindol-5-yl)methylamino]methyl]oxetane-3-carbonitrile?
3-[[(2-oxo-1,3-dihydroindol-5-yl)methylamino]methyl]oxetane-3-carbonitrile has a molecular weight of 257.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-oxo-1,3-dihydroindol-5-yl)methylamino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115247987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).