(3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one

C19H17NO3 — CID 723557

IUPAC(3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
SMILESCN1C(=O)[C@](O)([C@@H]2CCc3ccccc3C2=O)c2ccccc21
InChIInChI=1S/C19H17NO3/c1-20-16-9-5-4-8-14(16)19(23,18(20)22)15-11-10-12-6-2-3-7-13(12)17(15)21/h2-9,15,23H,10-11H2,1H3/t15-,19-/m1/s1
InChIKeyFGWKAQCXYUYUFT-DNVCBOLYSA-N
MW307.35 g/mol
LogP2.30
Rot. Bonds1

About (3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one

(3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one (PubChem CID 723557) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
PubChem CID723557
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
SMILESCN1C(=O)[C@](O)([C@@H]2CCc3ccccc3C2=O)c2ccccc21
InChIInChI=1S/C19H17NO3/c1-20-16-9-5-4-8-14(16)19(23,18(20)22)15-11-10-12-6-2-3-7-13(12)17(15)21/h2-9,15,23H,10-11H2,1H3/t15-,19-/m1/s1
InChIKeyFGWKAQCXYUYUFT-DNVCBOLYSA-N
XLogP2.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
The IUPAC name of (3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one (CID 723557) is (3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one is CN1C(=O)[C@](O)([C@@H]2CCc3ccccc3C2=O)c2ccccc21.
What is the InChIKey of (3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
The InChIKey is FGWKAQCXYUYUFT-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-20-16-9-5-4-8-14(16)19(23,18(20)22)15-11-10-12-6-2-3-7-13(12)17(15)21/h2-9,15,23H,10-11H2,1H3/t15-,19-/m1/s1.
What are the key properties of (3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one?
(3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one has a molecular weight of 307.35 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one is sourced from PubChem (CID 723557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).