5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one

C13H19N3O2 — CID 115121496

IUPAC5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one
SMILESCN(Cc1ccc2c(c1)CC(=O)N2)CC(O)CN
InChIInChI=1S/C13H19N3O2/c1-16(8-11(17)6-14)7-9-2-3-12-10(4-9)5-13(18)15-12/h2-4,11,17H,5-8,14H2,1H3,(H,15,18)
InChIKeyVEJGJUAFILSFLR-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.07
Rot. Bonds5

About 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one

5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one (PubChem CID 115121496) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one
PubChem CID115121496
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one
SMILESCN(Cc1ccc2c(c1)CC(=O)N2)CC(O)CN
InChIInChI=1S/C13H19N3O2/c1-16(8-11(17)6-14)7-9-2-3-12-10(4-9)5-13(18)15-12/h2-4,11,17H,5-8,14H2,1H3,(H,15,18)
InChIKeyVEJGJUAFILSFLR-UHFFFAOYSA-N
XLogP-0.07
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]propanoic acid
CID 115240765
5-[[bromomethyl(methyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115262041
5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1-methyl-3H-indol-2-one
CID 115121498
4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155349
N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-3-sulfanylpropanamide
CID 115167940
5-[[2-(ethylamino)ethyl-methylamino]methyl]-1,3-dihydroindol-2-one
CID 115205907
6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 117039998
N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116844796
5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one
CID 116924938
methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate
CID 115142468
N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119583698
N-methyl-3-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]propanamide
CID 115153275

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one (CID 115121496) is 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one is CN(Cc1ccc2c(c1)CC(=O)N2)CC(O)CN.
What is the InChIKey of 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one?
The InChIKey is VEJGJUAFILSFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(8-11(17)6-14)7-9-2-3-12-10(4-9)5-13(18)15-12/h2-4,11,17H,5-8,14H2,1H3,(H,15,18).
What are the key properties of 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one?
5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one has a molecular weight of 249.31 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115121496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).