5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one

C15H20N2O2 — CID 115149338

IUPAC5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(NC3CCC(O)CC3)ccc21
InChIInChI=1S/C15H20N2O2/c1-17-14-7-4-12(8-10(14)9-15(17)19)16-11-2-5-13(18)6-3-11/h4,7-8,11,13,16,18H,2-3,5-6,9H2,1H3
InChIKeyPIQPJPDBYVZAFN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.92
Rot. Bonds2

About 5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one

5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one (PubChem CID 115149338) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one
PubChem CID115149338
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(NC3CCC(O)CC3)ccc21
InChIInChI=1S/C15H20N2O2/c1-17-14-7-4-12(8-10(14)9-15(17)19)16-11-2-5-13(18)6-3-11/h4,7-8,11,13,16,18H,2-3,5-6,9H2,1H3
InChIKeyPIQPJPDBYVZAFN-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-aminocyclohexyl)amino]-1-methyl-3H-indol-2-one
CID 115117780
5-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methyl-3H-indol-2-one
CID 154755113
5-(hydroxymethylamino)-1-methyl-3H-indol-2-one
CID 115228674
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride
CID 115194357
1-methyl-5-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-3H-indol-2-one
CID 124829160
methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805084
1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one
CID 115227603
1-methyl-5-[4-(methylamino)cyclohexyl]-3H-indol-2-one
CID 116962667
5-(4-hydroxypiperidine-1-carbonyl)-1-methyl-3H-indol-2-one
CID 96669462
1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea
CID 30375662
5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one
CID 61088335
5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one
CID 115207235

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one (CID 115149338) is 5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(NC3CCC(O)CC3)ccc21.
What is the InChIKey of 5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one?
The InChIKey is PIQPJPDBYVZAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-14-7-4-12(8-10(14)9-15(17)19)16-11-2-5-13(18)6-3-11/h4,7-8,11,13,16,18H,2-3,5-6,9H2,1H3.
What are the key properties of 5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one?
5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxycyclohexyl)amino]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 115149338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).