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

C16H12N2O2 — CID 757506

IUPAC(3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2[C@@]1(O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12N2O2/c19-15-16(20,11-6-2-4-8-14(11)18-15)12-9-17-13-7-3-1-5-10(12)13/h1-9,17,20H,(H,18,19)/t16-/m1/s1
InChIKeyLLSIEQLHMGACNA-MRXNPFEDSA-N
MW264.28 g/mol
LogP2.36
Rot. Bonds1

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

(3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one (PubChem CID 757506) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one
PubChem CID757506
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name(3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2[C@@]1(O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12N2O2/c19-15-16(20,11-6-2-4-8-14(11)18-15)12-9-17-13-7-3-1-5-10(12)13/h1-9,17,20H,(H,18,19)/t16-/m1/s1
InChIKeyLLSIEQLHMGACNA-MRXNPFEDSA-N
XLogP2.36
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-hydroxy-3-(1H-indol-3-yl)-5-methoxy-1H-indol-2-one
CID 92733868
3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one
CID 118710075
(3R)-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one
CID 7102076
3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one
CID 4555359
2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one
CID 155935668
(3R)-3-hydroxy-3-(2-methoxyphenyl)-1H-indol-2-one
CID 7333204
3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one
CID 56687828
3-(2,6-difluorophenyl)-3-hydroxy-1H-indol-2-one
CID 83036180
5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one
CID 118710068
3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one
CID 178047804
3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one
CID 83037208
1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one
CID 164523817

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one?
The IUPAC name of (3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one (CID 757506) is (3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one is O=C1Nc2ccccc2[C@@]1(O)c1c[nH]c2ccccc12.
What is the InChIKey of (3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one?
The InChIKey is LLSIEQLHMGACNA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15-16(20,11-6-2-4-8-14(11)18-15)12-9-17-13-7-3-1-5-10(12)13/h1-9,17,20H,(H,18,19)/t16-/m1/s1.
What are the key properties of (3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one?
(3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one has a molecular weight of 264.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one is sourced from PubChem (CID 757506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).