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

C16H22N2O — CID 116926337

IUPAC5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one
SMILESCNC1CCC(Cc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C16H22N2O/c1-17-14-5-2-11(3-6-14)8-12-4-7-15-13(9-12)10-16(19)18-15/h4,7,9,11,14,17H,2-3,5-6,8,10H2,1H3,(H,18,19)
InChIKeyQKGIBLVCDLNJKC-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.50
Rot. Bonds3

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

5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one (PubChem CID 116926337) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one
PubChem CID116926337
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one
SMILESCNC1CCC(Cc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C16H22N2O/c1-17-14-5-2-11(3-6-14)8-12-4-7-15-13(9-12)10-16(19)18-15/h4,7,9,11,14,17H,2-3,5-6,8,10H2,1H3,(H,18,19)
InChIKeyQKGIBLVCDLNJKC-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one
CID 82231323
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82232043
N'-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116846191
5-(methoxymethyl)-1,3-dihydroindol-2-one
CID 22154148
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one
CID 115209941
5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one
CID 98016927
5-butyl-1,3-dihydroindol-2-one
CID 10219749
N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119477259
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
CID 115197988

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one (CID 116926337) is 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one is CNC1CCC(Cc2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one?
The InChIKey is QKGIBLVCDLNJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17-14-5-2-11(3-6-14)8-12-4-7-15-13(9-12)10-16(19)18-15/h4,7,9,11,14,17H,2-3,5-6,8,10H2,1H3,(H,18,19).
What are the key properties of 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one?
5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one has a molecular weight of 258.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 116926337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).