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'}

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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).