8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one

C13H12BrNO — CID 13376759

IUPAC8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one
SMILESCc1c2n(c3ccccc13)CCC(Br)C2=O
InChIInChI=1S/C13H12BrNO/c1-8-9-4-2-3-5-11(9)15-7-6-10(14)13(16)12(8)15/h2-5,10H,6-7H2,1H3
InChIKeyDMWWNOZEIHHGFC-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.30
Rot. Bonds

About 8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one

8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one (PubChem CID 13376759) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one.

Molecular Properties

Compound Name8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one
PubChem CID13376759
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one
SMILESCc1c2n(c3ccccc13)CCC(Br)C2=O
InChIInChI=1S/C13H12BrNO/c1-8-9-4-2-3-5-11(9)15-7-6-10(14)13(16)12(8)15/h2-5,10H,6-7H2,1H3
InChIKeyDMWWNOZEIHHGFC-UHFFFAOYSA-N
XLogP3.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one
CID 24977612
3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
CID 15287251
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
10-methyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-ol
CID 122697906
1,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 86733524
(4aR)-12-methyl-3,4,4a,5-tetrahydro-2H-indolo[2,1-a]isoquinolin-6-one
CID 139118617
(3S)-3-bromo-8-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 95757258
5-methyl-6-phenylcinnolino[2,1-b]phthalazine-8,13-dione
CID 132991044
1,11-dimethyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indole
CID 71370609
(3R)-3,7,8-trimethyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one
CID 162805266
11-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indole
CID 12864595
3-chloro-4-(1,3-dimethylindol-2-yl)cyclobut-3-ene-1,2-dione
CID 10730019

Frequently Asked Questions

What is the IUPAC name of 8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one?
The IUPAC name of 8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one (CID 13376759) is 8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one.
What is the SMILES notation for 8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one?
The canonical SMILES for 8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one is Cc1c2n(c3ccccc13)CCC(Br)C2=O.
What is the InChIKey of 8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one?
The InChIKey is DMWWNOZEIHHGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-8-9-4-2-3-5-11(9)15-7-6-10(14)13(16)12(8)15/h2-5,10H,6-7H2,1H3.
What are the key properties of 8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one?
8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one has a molecular weight of 278.15 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-10-methyl-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one is sourced from PubChem (CID 13376759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).