5,10-dihydro-2H-diazepino[4,5-b]indol-1-one

C11H9N3O — CID 12868772

IUPAC5,10-dihydro-2H-diazepino[4,5-b]indol-1-one
SMILESO=C1NN=CCc2c1[nH]c1ccccc21
InChIInChI=1S/C11H9N3O/c15-11-10-8(5-6-12-14-11)7-3-1-2-4-9(7)13-10/h1-4,6,13H,5H2,(H,14,15)
InChIKeyPFBQZQILWRJVGP-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.44
Rot. Bonds

About 5,10-dihydro-2H-diazepino[4,5-b]indol-1-one

5,10-dihydro-2H-diazepino[4,5-b]indol-1-one (PubChem CID 12868772) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 5,10-dihydro-2H-diazepino[4,5-b]indol-1-one.

Molecular Properties

Compound Name5,10-dihydro-2H-diazepino[4,5-b]indol-1-one
PubChem CID12868772
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name5,10-dihydro-2H-diazepino[4,5-b]indol-1-one
SMILESO=C1NN=CCc2c1[nH]c1ccccc21
InChIInChI=1S/C11H9N3O/c15-11-10-8(5-6-12-14-11)7-3-1-2-4-9(7)13-10/h1-4,6,13H,5H2,(H,14,15)
InChIKeyPFBQZQILWRJVGP-UHFFFAOYSA-N
XLogP1.44
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione
CID 100919920
2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione
CID 21473979
10H-acridin-9-one
CID 22753806
methyl (3S)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 10776668
9H-carbazole
CID 66668984
3,5-dihydropyrido[4,3-b]indol-4-one
CID 141032794
10H-acridin-9-one;ethane
CID 91525380
2,5,27-triazaheptacyclo[15.11.0.03,15.04,12.06,11.020,28.021,26]octacosa-1,3(15),4(12),6,8,10,16,20(28),21,23,25-undecaene
CID 14318406
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
3,12,13,21-tetrazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
CID 13435123
4H-diazeto[3,4-c]quinolin-3-one
CID 136619278

Frequently Asked Questions

What is the IUPAC name of 5,10-dihydro-2H-diazepino[4,5-b]indol-1-one?
The IUPAC name of 5,10-dihydro-2H-diazepino[4,5-b]indol-1-one (CID 12868772) is 5,10-dihydro-2H-diazepino[4,5-b]indol-1-one.
What is the SMILES notation for 5,10-dihydro-2H-diazepino[4,5-b]indol-1-one?
The canonical SMILES for 5,10-dihydro-2H-diazepino[4,5-b]indol-1-one is O=C1NN=CCc2c1[nH]c1ccccc21.
What is the InChIKey of 5,10-dihydro-2H-diazepino[4,5-b]indol-1-one?
The InChIKey is PFBQZQILWRJVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c15-11-10-8(5-6-12-14-11)7-3-1-2-4-9(7)13-10/h1-4,6,13H,5H2,(H,14,15).
What are the key properties of 5,10-dihydro-2H-diazepino[4,5-b]indol-1-one?
5,10-dihydro-2H-diazepino[4,5-b]indol-1-one has a molecular weight of 199.21 g/mol, XLogP of 1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dihydro-2H-diazepino[4,5-b]indol-1-one is sourced from PubChem (CID 12868772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).