5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one

C14H21N3O2 — CID 115121498

IUPAC5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one
SMILESCN(Cc1ccc2c(c1)CC(=O)N2C)CC(O)CN
InChIInChI=1S/C14H21N3O2/c1-16(9-12(18)7-15)8-10-3-4-13-11(5-10)6-14(19)17(13)2/h3-5,12,18H,6-9,15H2,1-2H3
InChIKeyNWGOWTSWPBLLAC-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.04
Rot. Bonds5

About 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one

5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one (PubChem CID 115121498) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one
PubChem CID115121498
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one
SMILESCN(Cc1ccc2c(c1)CC(=O)N2C)CC(O)CN
InChIInChI=1S/C14H21N3O2/c1-16(9-12(18)7-15)8-10-3-4-13-11(5-10)6-14(19)17(13)2/h3-5,12,18H,6-9,15H2,1-2H3
InChIKeyNWGOWTSWPBLLAC-UHFFFAOYSA-N
XLogP-0.04
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-hydroxyethyl(methyl)amino]methyl]-1-methyl-3H-indol-2-one
CID 115216242
5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one
CID 115121496
5-[2-[aminomethyl(methyl)amino]ethyl]-1-methyl-3H-indol-2-one
CID 115226209
1,3-dimethyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115169226
5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116928648
5-[2-amino-1-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290175
5-[[(1-amino-3-methylbutan-2-yl)amino]methyl]-1-methyl-3H-indol-2-one
CID 115138117
5-[(2,3-dihydroxypropylamino)methyl]-1-methyl-3H-indol-2-one
CID 115122100
N-(2-aminoethyl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 82295802
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290174

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one (CID 115121498) is 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one is CN(Cc1ccc2c(c1)CC(=O)N2C)CC(O)CN.
What is the InChIKey of 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one?
The InChIKey is NWGOWTSWPBLLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(9-12(18)7-15)8-10-3-4-13-11(5-10)6-14(19)17(13)2/h3-5,12,18H,6-9,15H2,1-2H3.
What are the key properties of 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one?
5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one has a molecular weight of 263.34 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 115121498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).