(3S)-3-methyl-3-phenyl-1H-indol-2-one

C15H13NO — CID 102419408

IUPAC(3S)-3-methyl-3-phenyl-1H-indol-2-one
SMILESC[C@@]1(c2ccccc2)C(=O)Nc2ccccc21
InChIInChI=1S/C15H13NO/c1-15(11-7-3-2-4-8-11)12-9-5-6-10-13(12)16-14(15)17/h2-10H,1H3,(H,16,17)/t15-/m0/s1
InChIKeyKWPKYRUCKBOOIR-HNNXBMFYSA-N
MW223.28 g/mol
LogP2.94
Rot. Bonds1

About (3S)-3-methyl-3-phenyl-1H-indol-2-one

(3S)-3-methyl-3-phenyl-1H-indol-2-one (PubChem CID 102419408) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is (3S)-3-methyl-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-3-phenyl-1H-indol-2-one
PubChem CID102419408
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name(3S)-3-methyl-3-phenyl-1H-indol-2-one
SMILESC[C@@]1(c2ccccc2)C(=O)Nc2ccccc21
InChIInChI=1S/C15H13NO/c1-15(11-7-3-2-4-8-11)12-9-5-6-10-13(12)16-14(15)17/h2-10H,1H3,(H,16,17)/t15-/m0/s1
InChIKeyKWPKYRUCKBOOIR-HNNXBMFYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3-phenyl-1H-indol-2-one?
The IUPAC name of (3S)-3-methyl-3-phenyl-1H-indol-2-one (CID 102419408) is (3S)-3-methyl-3-phenyl-1H-indol-2-one.
What is the SMILES notation for (3S)-3-methyl-3-phenyl-1H-indol-2-one?
The canonical SMILES for (3S)-3-methyl-3-phenyl-1H-indol-2-one is C[C@@]1(c2ccccc2)C(=O)Nc2ccccc21.
What is the InChIKey of (3S)-3-methyl-3-phenyl-1H-indol-2-one?
The InChIKey is KWPKYRUCKBOOIR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13NO/c1-15(11-7-3-2-4-8-11)12-9-5-6-10-13(12)16-14(15)17/h2-10H,1H3,(H,16,17)/t15-/m0/s1.
What are the key properties of (3S)-3-methyl-3-phenyl-1H-indol-2-one?
(3S)-3-methyl-3-phenyl-1H-indol-2-one has a molecular weight of 223.28 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 102419408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).