(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one

C19H17NO4 — CID 695696

IUPAC(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one
SMILESCOc1ccc2c(c1)C[C@H]([C@@]1(O)C(=O)N(C)c3ccccc31)C2=O
InChIInChI=1S/C19H17NO4/c1-20-16-6-4-3-5-14(16)19(23,18(20)22)15-10-11-9-12(24-2)7-8-13(11)17(15)21/h3-9,15,23H,10H2,1-2H3/t15-,19+/m0/s1
InChIKeyWGUBVWMZKCUXNW-HNAYVOBHSA-N
MW323.35 g/mol
LogP1.91
Rot. Bonds2

About (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one

(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one (PubChem CID 695696) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one
PubChem CID695696
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one
SMILESCOc1ccc2c(c1)C[C@H]([C@@]1(O)C(=O)N(C)c3ccccc31)C2=O
InChIInChI=1S/C19H17NO4/c1-20-16-6-4-3-5-14(16)19(23,18(20)22)15-10-11-9-12(24-2)7-8-13(11)17(15)21/h3-9,15,23H,10H2,1-2H3/t15-,19+/m0/s1
InChIKeyWGUBVWMZKCUXNW-HNAYVOBHSA-N
XLogP1.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one with MolForge

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Related Compounds

(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one
CID 1118160
(3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 723557
2-acetyl-5-methoxy-2,3-dihydroinden-1-one
CID 121012834
3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one
CID 10399607
(3S)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 957706
(3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 7394145
2-fluoro-5-methoxy-2,3-dihydroinden-1-one
CID 45120123
(3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one
CID 164672152
2-(2-chloroacetyl)-5-methoxy-2,3-dihydroinden-1-one
CID 121008324
(3S)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one
CID 716694
(3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one
CID 98185863
(2R)-6-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
CID 98053581

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one?
The IUPAC name of (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one (CID 695696) is (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one is COc1ccc2c(c1)C[C@H]([C@@]1(O)C(=O)N(C)c3ccccc31)C2=O.
What is the InChIKey of (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one?
The InChIKey is WGUBVWMZKCUXNW-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H17NO4/c1-20-16-6-4-3-5-14(16)19(23,18(20)22)15-10-11-9-12(24-2)7-8-13(11)17(15)21/h3-9,15,23H,10H2,1-2H3/t15-,19+/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one?
(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one has a molecular weight of 323.35 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one is sourced from PubChem (CID 695696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).