3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione

C12H11N3O2 — CID 170859462

IUPAC3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione
SMILESO=C1CCNC(=O)c2[nH]c3ccccc3c2N1
InChIInChI=1S/C12H11N3O2/c16-9-5-6-13-12(17)11-10(15-9)7-3-1-2-4-8(7)14-11/h1-4,14H,5-6H2,(H,13,17)(H,15,16)
InChIKeyMJQZAYPAIGOQPQ-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.24
Rot. Bonds

About 3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione

3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione (PubChem CID 170859462) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione.

Molecular Properties

Compound Name3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione
PubChem CID170859462
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione
SMILESO=C1CCNC(=O)c2[nH]c3ccccc3c2N1
InChIInChI=1S/C12H11N3O2/c16-9-5-6-13-12(17)11-10(15-9)7-3-1-2-4-8(7)14-11/h1-4,14H,5-6H2,(H,13,17)(H,15,16)
InChIKeyMJQZAYPAIGOQPQ-UHFFFAOYSA-N
XLogP1.24
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one
CID 118155746
2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione
CID 100919920
[(1-oxo-2,3,4,10-tetrahydroazepino[3,4-b]indol-5-ylidene)amino]urea
CID 136501195
5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one
CID 136657234
6-bromo-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
CID 905008
6-bromo-2,3,4,10-tetrahydroazepino[3,4-b]indole-1,5-dione
CID 91903097
2-(9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 22266697
5-[3-(1-methoxyethenyl)phenyl]-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one
CID 144862097
4-(hydroxymethyl)-5-pyridin-3-yl-3,6-dihydro-1H-azepino[3,2-b]indol-2-one
CID 118141639
(5S)-5-(1H-indol-3-yl)-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indol-1-one
CID 102149206
1H-1,4-benzodiazepine-2,5-dione;piperazine-2,3-dione
CID 18386981
5-[3-(2H-tetrazol-5-yl)phenyl]-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one
CID 136927862

Frequently Asked Questions

What is the IUPAC name of 3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione?
The IUPAC name of 3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione (CID 170859462) is 3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione.
What is the SMILES notation for 3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione?
The canonical SMILES for 3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione is O=C1CCNC(=O)c2[nH]c3ccccc3c2N1.
What is the InChIKey of 3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione?
The InChIKey is MJQZAYPAIGOQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-9-5-6-13-12(17)11-10(15-9)7-3-1-2-4-8(7)14-11/h1-4,14H,5-6H2,(H,13,17)(H,15,16).
What are the key properties of 3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione?
3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione has a molecular weight of 229.24 g/mol, XLogP of 1.24, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione is sourced from PubChem (CID 170859462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).