2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride

C22H23ClN2O4Si — CID 10983096

IUPAC2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride
SMILESCN1C(=O)c2c(C(=O)Cl)cc3c(c2C1=O)c1ccccc1n3COCC[Si](C)(C)C
InChIInChI=1S/C22H23ClN2O4Si/c1-24-21(27)18-14(20(23)26)11-16-17(19(18)22(24)28)13-7-5-6-8-15(13)25(16)12-29-9-10-30(2,3)4/h5-8,11H,9-10,12H2,1-4H3
InChIKeyAOVGJBKVSLZWBJ-UHFFFAOYSA-N
MW442.98 g/mol
LogP4.71
Rot. Bonds6

About 2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride

2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride (PubChem CID 10983096) has the molecular formula C22H23ClN2O4Si and a molecular weight of 442.98 g/mol. Its IUPAC name is 2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride.

Molecular Properties

Compound Name2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride
PubChem CID10983096
Molecular FormulaC22H23ClN2O4Si
Molecular Weight442.98 g/mol
Exact Mass442.11
IUPAC Name2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride
SMILESCN1C(=O)c2c(C(=O)Cl)cc3c(c2C1=O)c1ccccc1n3COCC[Si](C)(C)C
InChIInChI=1S/C22H23ClN2O4Si/c1-24-21(27)18-14(20(23)26)11-16-17(19(18)22(24)28)13-7-5-6-8-15(13)25(16)12-29-9-10-30(2,3)4/h5-8,11H,9-10,12H2,1-4H3
InChIKeyAOVGJBKVSLZWBJ-UHFFFAOYSA-N
XLogP4.71
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.98
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate
CID 10809190
2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione
CID 6538848
2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane
CID 10621459
2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane
CID 71497150
2-[(4-cyclohexylpyrido[3,4-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 10571849
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
trimethyl-[2-[(10-nitro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl]silane
CID 71497092
1-[4-[2-(2-bromo-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indol-3-yl]phenyl]ethanone
CID 71497017
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
CID 22170985
ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate
CID 156678798
hydroxy-dimethyl-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]silane
CID 24807131
3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione
CID 25215540

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride?
The IUPAC name of 2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride (CID 10983096) is 2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride.
What is the SMILES notation for 2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride?
The canonical SMILES for 2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride is CN1C(=O)c2c(C(=O)Cl)cc3c(c2C1=O)c1ccccc1n3COCC[Si](C)(C)C.
What is the InChIKey of 2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride?
The InChIKey is AOVGJBKVSLZWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4Si/c1-24-21(27)18-14(20(23)26)11-16-17(19(18)22(24)28)13-7-5-6-8-15(13)25(16)12-29-9-10-30(2,3)4/h5-8,11H,9-10,12H2,1-4H3.
What are the key properties of 2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride?
2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride has a molecular weight of 442.98 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride is sourced from PubChem (CID 10983096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).