(3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one

C15H17NO3 — CID 678131

IUPAC(3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one
SMILESO=C1CCCCC[C@@H]1[C@]1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C15H17NO3/c17-13-9-3-1-2-7-11(13)15(19)10-6-4-5-8-12(10)16-14(15)18/h4-6,8,11,19H,1-3,7,9H2,(H,16,18)/t11-,15-/m0/s1
InChIKeyWRDAYOGORAQJTA-NHYWBVRUSA-N
MW259.30 g/mol
LogP1.98
Rot. Bonds1

About (3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one

(3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one (PubChem CID 678131) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one
PubChem CID678131
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name(3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one
SMILESO=C1CCCCC[C@@H]1[C@]1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C15H17NO3/c17-13-9-3-1-2-7-11(13)15(19)10-6-4-5-8-12(10)16-14(15)18/h4-6,8,11,19H,1-3,7,9H2,(H,16,18)/t11-,15-/m0/s1
InChIKeyWRDAYOGORAQJTA-NHYWBVRUSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one
CID 102208917
(3S)-5-chloro-3-hydroxy-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one
CID 46209599
(3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one
CID 132583152
(3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one
CID 7066270
(3R)-3-[(1R,5R)-5-tert-butyl-2-oxocyclohexyl]-3-hydroxy-1H-indol-2-one
CID 42561945
(3S)-3-[(1S,5R)-5-ethyl-2-oxocyclohexyl]-3-hydroxy-1H-indol-2-one
CID 1240751
3-(3-benzylidene-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one
CID 71835394
3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one
CID 83034122
(3R)-3-hydroxy-3-[(1R,5R)-5-(2-methylbutan-2-yl)-2-oxocyclohexyl]-1H-indol-2-one
CID 1349448
3-hydroxy-3-(6-oxaspiro[4.5]decan-9-yl)-1H-indol-2-one
CID 83035071
3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one
CID 2864705
3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one
CID 10399607

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one?
The IUPAC name of (3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one (CID 678131) is (3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one is O=C1CCCCC[C@@H]1[C@]1(O)C(=O)Nc2ccccc21.
What is the InChIKey of (3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one?
The InChIKey is WRDAYOGORAQJTA-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H17NO3/c17-13-9-3-1-2-7-11(13)15(19)10-6-4-5-8-12(10)16-14(15)18/h4-6,8,11,19H,1-3,7,9H2,(H,16,18)/t11-,15-/m0/s1.
What are the key properties of (3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one?
(3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one has a molecular weight of 259.30 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one is sourced from PubChem (CID 678131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).