(3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one

C17H14N2O2 — CID 156581137

IUPAC(3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one
SMILESCO[C@]1(c2c[nH]c3ccccc23)C(=O)Nc2ccccc21
InChIInChI=1S/C17H14N2O2/c1-21-17(12-7-3-5-9-15(12)19-16(17)20)13-10-18-14-8-4-2-6-11(13)14/h2-10,18H,1H3,(H,19,20)/t17-/m1/s1
InChIKeyFQODSUYCYUUQBF-QGZVFWFLSA-N
MW278.31 g/mol
LogP3.01
Rot. Bonds2

About (3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one

(3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one (PubChem CID 156581137) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one
PubChem CID156581137
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one
SMILESCO[C@]1(c2c[nH]c3ccccc23)C(=O)Nc2ccccc21
InChIInChI=1S/C17H14N2O2/c1-21-17(12-7-3-5-9-15(12)19-16(17)20)13-10-18-14-8-4-2-6-11(13)14/h2-10,18H,1H3,(H,19,20)/t17-/m1/s1
InChIKeyFQODSUYCYUUQBF-QGZVFWFLSA-N
XLogP3.01
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one?
The IUPAC name of (3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one (CID 156581137) is (3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one.
What is the SMILES notation for (3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one?
The canonical SMILES for (3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one is CO[C@]1(c2c[nH]c3ccccc23)C(=O)Nc2ccccc21.
What is the InChIKey of (3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one?
The InChIKey is FQODSUYCYUUQBF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-17(12-7-3-5-9-15(12)19-16(17)20)13-10-18-14-8-4-2-6-11(13)14/h2-10,18H,1H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one?
(3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one has a molecular weight of 278.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1H-indol-3-yl)-3-methoxy-1H-indol-2-one is sourced from PubChem (CID 156581137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).