4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol

C12H18N2O3 — CID 91279377

IUPAC4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol
SMILESCNCC(O)c1cccc2c1CC(=O)N2.CO
InChIInChI=1S/C11H14N2O2.CH4O/c1-12-6-10(14)7-3-2-4-9-8(7)5-11(15)13-9;1-2/h2-4,10,12,14H,5-6H2,1H3,(H,13,15);2H,1H3
InChIKeyLWIBIGYCQKADFK-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.04
Rot. Bonds3

About 4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol

4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol (PubChem CID 91279377) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol.

Molecular Properties

Compound Name4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol
PubChem CID91279377
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol
SMILESCNCC(O)c1cccc2c1CC(=O)N2.CO
InChIInChI=1S/C11H14N2O2.CH4O/c1-12-6-10(14)7-3-2-4-9-8(7)5-11(15)13-9;1-2/h2-4,10,12,14H,5-6H2,1H3,(H,13,15);2H,1H3
InChIKeyLWIBIGYCQKADFK-UHFFFAOYSA-N
XLogP0.04
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yl-1,3-dihydroindol-2-one
CID 20698714
6-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 155461788
3-(2-oxo-1,3-dihydroindol-4-yl)butanal
CID 117291451
4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
CID 117282361
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
4-(bromomethyl)-1,3-dihydroindol-2-one
CID 90008900
8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 118692879
2,2-dimethyl-3-(2-oxo-1,3-dihydroindol-4-yl)propanoic acid
CID 117337995
2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 82608027
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one
CID 70333765

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol?
The IUPAC name of 4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol (CID 91279377) is 4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol.
What is the SMILES notation for 4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol?
The canonical SMILES for 4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol is CNCC(O)c1cccc2c1CC(=O)N2.CO.
What is the InChIKey of 4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol?
The InChIKey is LWIBIGYCQKADFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.CH4O/c1-12-6-10(14)7-3-2-4-9-8(7)5-11(15)13-9;1-2/h2-4,10,12,14H,5-6H2,1H3,(H,13,15);2H,1H3.
What are the key properties of 4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol?
4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol has a molecular weight of 238.29 g/mol, XLogP of 0.04, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol is sourced from PubChem (CID 91279377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).