5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one

C14H20N2O2 — CID 116959878

IUPAC5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one
SMILESCCC(CO)C(NC)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H20N2O2/c1-3-9(8-17)14(15-2)10-4-5-12-11(6-10)7-13(18)16-12/h4-6,9,14-15,17H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyCQWPHYLSRREXMW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.46
Rot. Bonds5

About 5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one

5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one (PubChem CID 116959878) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one
PubChem CID116959878
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one
SMILESCCC(CO)C(NC)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H20N2O2/c1-3-9(8-17)14(15-2)10-4-5-12-11(6-10)7-13(18)16-12/h4-6,9,14-15,17H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyCQWPHYLSRREXMW-UHFFFAOYSA-N
XLogP1.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-ethyl-1-(methylamino)hexyl]-1,3-dihydroindol-2-one
CID 43484784
2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116953331
5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one
CID 116857239
5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116952949
5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 116949019
N-methyl-2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82475513
2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 116955002
3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82116150
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one
CID 82290690
5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 79660978
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one (CID 116959878) is 5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one is CCC(CO)C(NC)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one?
The InChIKey is CQWPHYLSRREXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-9(8-17)14(15-2)10-4-5-12-11(6-10)7-13(18)16-12/h4-6,9,14-15,17H,3,7-8H2,1-2H3,(H,16,18).
What are the key properties of 5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one?
5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 116959878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).