5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one

C12H16N2O2 — CID 116835597

IUPAC5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one
SMILESCOCC(CN)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H16N2O2/c1-16-7-10(6-13)8-2-3-11-9(4-8)5-12(15)14-11/h2-4,10H,5-7,13H2,1H3,(H,14,15)
InChIKeyJFFSRSAHTYWAGQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.87
Rot. Bonds4

About 5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one

5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one (PubChem CID 116835597) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one
PubChem CID116835597
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one
SMILESCOCC(CN)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H16N2O2/c1-16-7-10(6-13)8-2-3-11-9(4-8)5-12(15)14-11/h2-4,10H,5-7,13H2,1H3,(H,14,15)
InChIKeyJFFSRSAHTYWAGQ-UHFFFAOYSA-N
XLogP0.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate
CID 61328373
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
methyl 2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propanoate
CID 171864289
3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82116150
5-[1-amino-3-(2,2-difluoroethoxy)propyl]-1,3-dihydroindol-2-one
CID 103207060
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
ethyl 2-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)acetate
CID 116863121
5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 79095790
5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 116949019
5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one
CID 116833671

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one (CID 116835597) is 5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one is COCC(CN)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one?
The InChIKey is JFFSRSAHTYWAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-7-10(6-13)8-2-3-11-9(4-8)5-12(15)14-11/h2-4,10H,5-7,13H2,1H3,(H,14,15).
What are the key properties of 5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one?
5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 116835597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).