5-[3-(2-aminoethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one

C14H18N2O2 — CID 116869551

IUPAC5-[3-(2-aminoethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C3(CCN)COC3)ccc21
InChIInChI=1S/C14H18N2O2/c1-16-12-3-2-11(6-10(12)7-13(16)17)14(4-5-15)8-18-9-14/h2-3,6H,4-5,7-9,15H2,1H3
InChIKeyZPDDNPXOHPMZAB-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.82
Rot. Bonds3

About 5-[3-(2-aminoethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one

5-[3-(2-aminoethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one (PubChem CID 116869551) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-[3-(2-aminoethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[3-(2-aminoethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one
PubChem CID116869551
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-[3-(2-aminoethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C3(CCN)COC3)ccc21
InChIInChI=1S/C14H18N2O2/c1-16-12-3-2-11(6-10(12)7-13(16)17)14(4-5-15)8-18-9-14/h2-3,6H,4-5,7-9,15H2,1H3
InChIKeyZPDDNPXOHPMZAB-UHFFFAOYSA-N
XLogP0.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(chloromethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one
CID 116871399
5-(3-bromooxetan-3-yl)-1-methyl-3H-indol-2-one
CID 116876380
5-(1-aminocyclopentyl)-1-methyl-3H-indol-2-one
CID 82288908
2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine
CID 116869528
1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid
CID 82289083
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802
5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one
CID 115226209
1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one
CID 116825281
1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]cyclopropane-1-carbonitrile
CID 116837087
2-[3-(4-ethylsulfonylphenyl)oxetan-3-yl]ethanamine
CID 116869588
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one
CID 115138117

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-aminoethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[3-(2-aminoethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one (CID 116869551) is 5-[3-(2-aminoethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[3-(2-aminoethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[3-(2-aminoethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C3(CCN)COC3)ccc21.
What is the InChIKey of 5-[3-(2-aminoethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one?
The InChIKey is ZPDDNPXOHPMZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-12-3-2-11(6-10(12)7-13(16)17)14(4-5-15)8-18-9-14/h2-3,6H,4-5,7-9,15H2,1H3.
What are the key properties of 5-[3-(2-aminoethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one?
5-[3-(2-aminoethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one has a molecular weight of 246.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-aminoethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 116869551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).