5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one

C14H15NO3 — CID 141283388

IUPAC5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one
SMILESO=C1CCC(O)(c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C14H15NO3/c16-11-3-5-14(18,6-4-11)10-1-2-12-9(7-10)8-13(17)15-12/h1-2,7,18H,3-6,8H2,(H,15,17)
InChIKeyZGRPBPJXTINBPP-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.51
Rot. Bonds1

About 5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one

5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one (PubChem CID 141283388) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one
PubChem CID141283388
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one
SMILESO=C1CCC(O)(c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C14H15NO3/c16-11-3-5-14(18,6-4-11)10-1-2-12-9(7-10)8-13(17)15-12/h1-2,7,18H,3-6,8H2,(H,15,17)
InChIKeyZGRPBPJXTINBPP-UHFFFAOYSA-N
XLogP1.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one
CID 116872972
6-(1-hydroxycyclopropyl)-1,3-dihydroindol-2-one
CID 117281439
5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one
CID 116872639
5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one
CID 82497597
N-methyl-1-(2-oxo-1,3-dihydroindol-5-yl)cyclopropane-1-carbohydrazide
CID 116846053
N',N'-dimethyl-1-(2-oxo-1,3-dihydroindol-5-yl)cyclopropane-1-carbohydrazide
CID 116848329
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one
CID 61098131
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284
5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61087937

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one (CID 141283388) is 5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one is O=C1CCC(O)(c2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of 5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one?
The InChIKey is ZGRPBPJXTINBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-11-3-5-14(18,6-4-11)10-1-2-12-9(7-10)8-13(17)15-12/h1-2,7,18H,3-6,8H2,(H,15,17).
What are the key properties of 5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one?
5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 141283388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).