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

C14H18N2O — CID 43484843

IUPAC5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1ccc2c(c1)CC(=O)N2)C1CCC1
InChIInChI=1S/C14H18N2O/c1-15-14(9-3-2-4-9)10-5-6-12-11(7-10)8-13(17)16-12/h5-7,9,14-15H,2-4,8H2,1H3,(H,16,17)
InChIKeyDEZZRYSHSFCSIC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.24
Rot. Bonds3

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

5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one (PubChem CID 43484843) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one
PubChem CID43484843
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1ccc2c(c1)CC(=O)N2)C1CCC1
InChIInChI=1S/C14H18N2O/c1-15-14(9-3-2-4-9)10-5-6-12-11(7-10)8-13(17)16-12/h5-7,9,14-15H,2-4,8H2,1H3,(H,16,17)
InChIKeyDEZZRYSHSFCSIC-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-[methylamino(oxan-3-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 63012708
6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 116951044
2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 116955002
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-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483595
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484803
2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116953331
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 116949019
5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one
CID 114458659
5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 79660978

Frequently Asked Questions

What is the IUPAC name of 5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one (CID 43484843) is 5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one is CNC(c1ccc2c(c1)CC(=O)N2)C1CCC1.
What is the InChIKey of 5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one?
The InChIKey is DEZZRYSHSFCSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-15-14(9-3-2-4-9)10-5-6-12-11(7-10)8-13(17)16-12/h5-7,9,14-15H,2-4,8H2,1H3,(H,16,17).
What are the key properties of 5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one?
5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43484843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).