dimethyl 7,10-dimethyl-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate

C18H19NO5 — CID 135033462

IUPACdimethyl 7,10-dimethyl-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(C)C(=O)n2c1c(C)c1ccccc12
InChIInChI=1S/C18H19NO5/c1-10-9-18(16(21)23-3,17(22)24-4)14-11(2)12-7-5-6-8-13(12)19(14)15(10)20/h5-8,10H,9H2,1-4H3
InChIKeyAVHZLIAMWBRTHL-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.21
Rot. Bonds2

About dimethyl 7,10-dimethyl-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate

dimethyl 7,10-dimethyl-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate (PubChem CID 135033462) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is dimethyl 7,10-dimethyl-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7,10-dimethyl-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate
PubChem CID135033462
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namedimethyl 7,10-dimethyl-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(C)C(=O)n2c1c(C)c1ccccc12
InChIInChI=1S/C18H19NO5/c1-10-9-18(16(21)23-3,17(22)24-4)14-11(2)12-7-5-6-8-13(12)19(14)15(10)20/h5-8,10H,9H2,1-4H3
InChIKeyAVHZLIAMWBRTHL-UHFFFAOYSA-N
XLogP2.21
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[9,9-bis(methoxycarbonyl)-7-(3-methoxy-3-oxopropyl)-6-oxo-7,8-dihydropyrido[1,2-a]indol-10-yl]acetic acid
CID 154722290
methyl 1-(1-bromo-2-methylindolizin-3-yl)cyclopropane-1-carboxylate
CID 116993927
dimethyl 1-methyl-2H-phenanthro[9,10-b]pyrrole-3,3-dicarboxylate
CID 122381045
trimethyl 2-methyl-1H-pyrrolo[2,3-b]indole-2,3,4-tricarboxylate
CID 10617552
methyl (5R,8S)-5-ethyl-8-(methoxyamino)-2,7-dioxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraene-8-carboxylate
CID 122368129
methyl (7S,10R)-10-(furan-2-yl)-11-methyl-6-oxo-7,8,9,10-tetrahydroazepino[1,2-a]indole-7-carboxylate
CID 122400338
dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate
CID 11298806
dimethyl 2-naphthalen-1-ylcyclopropane-1,1-dicarboxylate
CID 132540327
methyl 2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylate
CID 116843020
methyl (5R,8S)-5-butyl-8-(methoxyamino)-2,7-dioxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraene-8-carboxylate
CID 122368125
dimethyl (1R,15R,18R)-17-acetyl-14-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1,3-dicarboxylate
CID 25241931
dimethyl 5-methylsulfonyl-11-oxobenzo[b]carbazole-6,6-dicarboxylate
CID 15274941

Frequently Asked Questions

What is the IUPAC name of dimethyl 7,10-dimethyl-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate?
The IUPAC name of dimethyl 7,10-dimethyl-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate (CID 135033462) is dimethyl 7,10-dimethyl-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate.
What is the SMILES notation for dimethyl 7,10-dimethyl-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate?
The canonical SMILES for dimethyl 7,10-dimethyl-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate is COC(=O)C1(C(=O)OC)CC(C)C(=O)n2c1c(C)c1ccccc12.
What is the InChIKey of dimethyl 7,10-dimethyl-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate?
The InChIKey is AVHZLIAMWBRTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-10-9-18(16(21)23-3,17(22)24-4)14-11(2)12-7-5-6-8-13(12)19(14)15(10)20/h5-8,10H,9H2,1-4H3.
What are the key properties of dimethyl 7,10-dimethyl-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate?
dimethyl 7,10-dimethyl-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate has a molecular weight of 329.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7,10-dimethyl-6-oxo-7,8-dihydropyrido[1,2-a]indole-9,9-dicarboxylate is sourced from PubChem (CID 135033462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).