(3S)-3-(1H-indol-6-ylmethyl)-1,3-dihydroindol-2-one

C17H14N2O — CID 51974569

IUPAC(3S)-3-(1H-indol-6-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2[C@@H]1Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C17H14N2O/c20-17-14(13-3-1-2-4-15(13)19-17)9-11-5-6-12-7-8-18-16(12)10-11/h1-8,10,14,18H,9H2,(H,19,20)/t14-/m0/s1
InChIKeyIYVTXWFOSKOZRI-AWEZNQCLSA-N
MW262.31 g/mol
LogP3.45
Rot. Bonds2

About (3S)-3-(1H-indol-6-ylmethyl)-1,3-dihydroindol-2-one

(3S)-3-(1H-indol-6-ylmethyl)-1,3-dihydroindol-2-one (PubChem CID 51974569) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (3S)-3-(1H-indol-6-ylmethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-3-(1H-indol-6-ylmethyl)-1,3-dihydroindol-2-one
PubChem CID51974569
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(3S)-3-(1H-indol-6-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2[C@@H]1Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C17H14N2O/c20-17-14(13-3-1-2-4-15(13)19-17)9-11-5-6-12-7-8-18-16(12)10-11/h1-8,10,14,18H,9H2,(H,19,20)/t14-/m0/s1
InChIKeyIYVTXWFOSKOZRI-AWEZNQCLSA-N
XLogP3.45
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1H-indol-6-ylmethyl)-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-3-(1H-indol-6-ylmethyl)-1,3-dihydroindol-2-one (CID 51974569) is (3S)-3-(1H-indol-6-ylmethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-3-(1H-indol-6-ylmethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-3-(1H-indol-6-ylmethyl)-1,3-dihydroindol-2-one is O=C1Nc2ccccc2[C@@H]1Cc1ccc2cc[nH]c2c1.
What is the InChIKey of (3S)-3-(1H-indol-6-ylmethyl)-1,3-dihydroindol-2-one?
The InChIKey is IYVTXWFOSKOZRI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17-14(13-3-1-2-4-15(13)19-17)9-11-5-6-12-7-8-18-16(12)10-11/h1-8,10,14,18H,9H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (3S)-3-(1H-indol-6-ylmethyl)-1,3-dihydroindol-2-one?
(3S)-3-(1H-indol-6-ylmethyl)-1,3-dihydroindol-2-one has a molecular weight of 262.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1H-indol-6-ylmethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 51974569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).