methyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate

C15H13NO4 — CID 11265719

IUPACmethyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate
SMILESCOC(=O)C1CN(C)C2=C1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H13NO4/c1-16-7-10(15(19)20-2)11-12(16)14(18)9-6-4-3-5-8(9)13(11)17/h3-6,10H,7H2,1-2H3
InChIKeyVCYCPHFYIXXFOJ-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.05
Rot. Bonds1

About methyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate

methyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate (PubChem CID 11265719) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is methyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate
PubChem CID11265719
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Namemethyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate
SMILESCOC(=O)C1CN(C)C2=C1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H13NO4/c1-16-7-10(15(19)20-2)11-12(16)14(18)9-6-4-3-5-8(9)13(11)17/h3-6,10H,7H2,1-2H3
InChIKeyVCYCPHFYIXXFOJ-UHFFFAOYSA-N
XLogP1.05
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze methyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate with MolForge

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Related Compounds

methyl 2-oxotricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene-9-carboxylate
CID 102398113
methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 125044320
2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 86767718
methyl 2-oxo-3-phenylcyclopentane-1-carboxylate
CID 22173712
methyl 1-methyl-2,3-dioxopiperidine-4-carboxylate
CID 117273473
methyl (E)-4-[(2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl)amino]but-2-enoate
CID 154876903
methyl 4-oxo-2,3-diphenylcyclohex-2-ene-1-carboxylate
CID 102218847
methyl (5S)-7-oxo-4,5-dihydro-3H-[1,4]thiazepino[3,4-a]isoindole-5-carboxylate
CID 95988684
methyl (1R)-11-hydroxy-10-oxo-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-8-carboxylate
CID 69345804
2-O-(1,3-dioxoisoindol-2-yl) 5-O-methyl (2S,5R)-oxolane-2,5-dicarboxylate
CID 178202360
methyl (4S)-2,5-diphenyl-3,4-dihydropyrazole-4-carboxylate
CID 124530326
methyl 7-methyl-3-oxo-1,2-dihydroindene-1-carboxylate
CID 121009125

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate?
The IUPAC name of methyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate (CID 11265719) is methyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate is COC(=O)C1CN(C)C2=C1C(=O)c1ccccc1C2=O.
What is the InChIKey of methyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate?
The InChIKey is VCYCPHFYIXXFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-16-7-10(15(19)20-2)11-12(16)14(18)9-6-4-3-5-8(9)13(11)17/h3-6,10H,7H2,1-2H3.
What are the key properties of methyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate?
methyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate has a molecular weight of 271.27 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4,9-dioxo-2,3-dihydrobenzo[f]indole-3-carboxylate is sourced from PubChem (CID 11265719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).