3-(2,3,3a,4-tetrahydroindol-1-yl)indol-2-one

C16H14N2O — CID 154295670

IUPAC3-(2,3,3a,4-tetrahydroindol-1-yl)indol-2-one
SMILESO=C1N=c2ccccc2=C1N1CCC2CC=CC=C21
InChIInChI=1S/C16H14N2O/c19-16-15(12-6-2-3-7-13(12)17-16)18-10-9-11-5-1-4-8-14(11)18/h1-4,6-8,11H,5,9-10H2
InChIKeyNFRJKDDUNBCMLI-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.12
Rot. Bonds1

About 3-(2,3,3a,4-tetrahydroindol-1-yl)indol-2-one

3-(2,3,3a,4-tetrahydroindol-1-yl)indol-2-one (PubChem CID 154295670) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(2,3,3a,4-tetrahydroindol-1-yl)indol-2-one.

Molecular Properties

Compound Name3-(2,3,3a,4-tetrahydroindol-1-yl)indol-2-one
PubChem CID154295670
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-(2,3,3a,4-tetrahydroindol-1-yl)indol-2-one
SMILESO=C1N=c2ccccc2=C1N1CCC2CC=CC=C21
InChIInChI=1S/C16H14N2O/c19-16-15(12-6-2-3-7-13(12)17-16)18-10-9-11-5-1-4-8-14(11)18/h1-4,6-8,11H,5,9-10H2
InChIKeyNFRJKDDUNBCMLI-UHFFFAOYSA-N
XLogP1.12
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,3a,4-tetrahydroindol-1-yl)benzamide
CID 67271325
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CID 141490789
1-pyridazin-3-ylsulfonyl-3,4,4a,5-tetrahydro-2H-quinoline
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2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone
CID 70632091
N-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-amine
CID 67176744
benzimidazol-2-one;1-chloro-3-piperidin-4-yl-3a,4-dihydrobenzimidazol-2-one
CID 121379960
copper;bis(3-(hydroxyamino)indol-2-one)
CID 5473478
copper bis(3-(oxidoamino)indol-2-one)
CID 6712942
7-(2,3,3a,4-tetrahydroindol-1-yl)-12-bromo-5,6,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene
CID 151342074
1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid
CID 154430045
1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-2-chloroethanone
CID 70604856
1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one
CID 141003362

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4-tetrahydroindol-1-yl)indol-2-one?
The IUPAC name of 3-(2,3,3a,4-tetrahydroindol-1-yl)indol-2-one (CID 154295670) is 3-(2,3,3a,4-tetrahydroindol-1-yl)indol-2-one.
What is the SMILES notation for 3-(2,3,3a,4-tetrahydroindol-1-yl)indol-2-one?
The canonical SMILES for 3-(2,3,3a,4-tetrahydroindol-1-yl)indol-2-one is O=C1N=c2ccccc2=C1N1CCC2CC=CC=C21.
What is the InChIKey of 3-(2,3,3a,4-tetrahydroindol-1-yl)indol-2-one?
The InChIKey is NFRJKDDUNBCMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16-15(12-6-2-3-7-13(12)17-16)18-10-9-11-5-1-4-8-14(11)18/h1-4,6-8,11H,5,9-10H2.
What are the key properties of 3-(2,3,3a,4-tetrahydroindol-1-yl)indol-2-one?
3-(2,3,3a,4-tetrahydroindol-1-yl)indol-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4-tetrahydroindol-1-yl)indol-2-one is sourced from PubChem (CID 154295670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).