(3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one

C14H14ClNO3 — CID 132583152

IUPAC(3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one
SMILESO=C1CCCC[C@H]1[C@]1(O)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C14H14ClNO3/c15-8-5-6-11-10(7-8)14(19,13(18)16-11)9-3-1-2-4-12(9)17/h5-7,9,19H,1-4H2,(H,16,18)/t9-,14-/m1/s1
InChIKeyXKZLYEATESVIFZ-YMTOWFKASA-N
MW279.72 g/mol
LogP2.24
Rot. Bonds1

About (3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one

(3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one (PubChem CID 132583152) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is (3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one
PubChem CID132583152
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name(3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one
SMILESO=C1CCCC[C@H]1[C@]1(O)C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C14H14ClNO3/c15-8-5-6-11-10(7-8)14(19,13(18)16-11)9-3-1-2-4-12(9)17/h5-7,9,19H,1-4H2,(H,16,18)/t9-,14-/m1/s1
InChIKeyXKZLYEATESVIFZ-YMTOWFKASA-N
XLogP2.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-chloro-3-hydroxy-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one
CID 46209599
(3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one
CID 678131
(5R)-2-amino-5-[(3R)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1,3-thiazol-4-one
CID 92537865
3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one
CID 102208917
5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one
CID 159617645
5-chlorospiro[1H-indole-3,4'-oxane]-2-one
CID 106701967
(3S)-3-amino-5-chloro-3-(hydroxymethyl)-1H-indol-2-one
CID 130804081
7-chloro-2-cyclohexyl-3a-hydroxy-8b-methyl-1,4-dihydropyrrolo[3,4-b]indol-3-one
CID 51055652
5-chloro-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 67428748
ethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate
CID 15959187
(3S)-5-bromo-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one
CID 1425696
5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one
CID 18753035

Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one?
The IUPAC name of (3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one (CID 132583152) is (3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one.
What is the SMILES notation for (3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one?
The canonical SMILES for (3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one is O=C1CCCC[C@H]1[C@]1(O)C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of (3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one?
The InChIKey is XKZLYEATESVIFZ-YMTOWFKASA-N. The full InChI is InChI=1S/C14H14ClNO3/c15-8-5-6-11-10(7-8)14(19,13(18)16-11)9-3-1-2-4-12(9)17/h5-7,9,19H,1-4H2,(H,16,18)/t9-,14-/m1/s1.
What are the key properties of (3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one?
(3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one has a molecular weight of 279.72 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one is sourced from PubChem (CID 132583152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).