3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one

C12H17N3O2 — CID 114230298

IUPAC3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CCCO)c1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C12H17N3O2/c1-15(5-2-6-16)8-3-4-9-10(7-8)14-12(17)11(9)13/h3-4,7,11,16H,2,5-6,13H2,1H3,(H,14,17)
InChIKeyXNWUIDBMFDVKPY-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.46
Rot. Bonds4

About 3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one

3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one (PubChem CID 114230298) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one
PubChem CID114230298
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CCCO)c1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C12H17N3O2/c1-15(5-2-6-16)8-3-4-9-10(7-8)14-12(17)11(9)13/h3-4,7,11,16H,2,5-6,13H2,1H3,(H,14,17)
InChIKeyXNWUIDBMFDVKPY-UHFFFAOYSA-N
XLogP0.46
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one
CID 61424784
3-amino-6-[cyclobutylmethyl(methyl)amino]-1,3-dihydroindol-2-one
CID 62861507
3-amino-6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1,3-dihydroindol-2-one
CID 107480513
3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 63007655
3-amino-6-[methyl(pyridin-2-ylmethyl)amino]-1,3-dihydroindol-2-one
CID 43586847
3-amino-6-(3-hydroxypropylsulfanyl)-1,3-dihydroindol-2-one
CID 66114529
3-amino-6-[(4-ethylcyclohexyl)-methylamino]-1,3-dihydroindol-2-one
CID 61449124
3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one
CID 112661697
3-amino-6-[2-(dimethylamino)ethoxy]-1,3-dihydroindol-2-one
CID 63369833
3-amino-6-methyl-1,3-dihydroindol-2-one
CID 71306235
3-amino-6-[cyclopropylmethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
CID 54999584
3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one
CID 103339183

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one (CID 114230298) is 3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one is CN(CCCO)c1ccc2c(c1)NC(=O)C2N.
What is the InChIKey of 3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is XNWUIDBMFDVKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(5-2-6-16)8-3-4-9-10(7-8)14-12(17)11(9)13/h3-4,7,11,16H,2,5-6,13H2,1H3,(H,14,17).
What are the key properties of 3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one?
3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-hydroxypropyl(methyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 114230298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).