5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one

C17H20N2O2 — CID 65151696

IUPAC5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1ccc2c(c1)CC(=O)N2)c1c(C)oc(C)c1C
InChIInChI=1S/C17H20N2O2/c1-9-10(2)21-11(3)16(9)17(18-4)12-5-6-14-13(7-12)8-15(20)19-14/h5-7,17-18H,8H2,1-4H3,(H,19,20)
InChIKeyYIPAQRHJSNYHBR-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.01
Rot. Bonds3

About 5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one

5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 65151696) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID65151696
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1ccc2c(c1)CC(=O)N2)c1c(C)oc(C)c1C
InChIInChI=1S/C17H20N2O2/c1-9-10(2)21-11(3)16(9)17(18-4)12-5-6-14-13(7-12)8-15(20)19-14/h5-7,17-18H,8H2,1-4H3,(H,19,20)
InChIKeyYIPAQRHJSNYHBR-UHFFFAOYSA-N
XLogP3.01
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[furan-3-yl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484758
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484803
5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 65237224
5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484817
6-[(2,5-dimethylfuran-3-yl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483885
2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 116955002
5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one
CID 43496622
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
N-methyl-2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82475513
5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 61083783
5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484843
2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116953331

Frequently Asked Questions

What is the IUPAC name of 5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one (CID 65151696) is 5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one is CNC(c1ccc2c(c1)CC(=O)N2)c1c(C)oc(C)c1C.
What is the InChIKey of 5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is YIPAQRHJSNYHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-9-10(2)21-11(3)16(9)17(18-4)12-5-6-14-13(7-12)8-15(20)19-14/h5-7,17-18H,8H2,1-4H3,(H,19,20).
What are the key properties of 5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one?
5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 284.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 65151696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).