methyl 2-(6-chloro-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate

C15H12ClNO4 — CID 11858464

IUPACmethyl 2-(6-chloro-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate
SMILESCOC(=O)C(=O)C1CCc2c([nH]c3ccc(Cl)cc23)C1=O
InChIInChI=1S/C15H12ClNO4/c1-21-15(20)14(19)9-4-3-8-10-6-7(16)2-5-11(10)17-12(8)13(9)18/h2,5-6,9,17H,3-4H2,1H3
InChIKeyOULPJDRFBOPLTN-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.31
Rot. Bonds2

About methyl 2-(6-chloro-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate

methyl 2-(6-chloro-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate (PubChem CID 11858464) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is methyl 2-(6-chloro-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(6-chloro-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate
PubChem CID11858464
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Namemethyl 2-(6-chloro-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate
SMILESCOC(=O)C(=O)C1CCc2c([nH]c3ccc(Cl)cc23)C1=O
InChIInChI=1S/C15H12ClNO4/c1-21-15(20)14(19)9-4-3-8-10-6-7(16)2-5-11(10)17-12(8)13(9)18/h2,5-6,9,17H,3-4H2,1H3
InChIKeyOULPJDRFBOPLTN-UHFFFAOYSA-N
XLogP2.31
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2S)-6-cyclohexyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl]-2-oxoacetate
CID 98119849
ethyl 2-(6-cyclohexyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate
CID 3112110
7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide
CID 71035373
1-(7-chloro-2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone
CID 141146228
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452712
(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7074070
methyl 8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 113089288
ethyl 2-hydroxy-2-(6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)acetate
CID 4553251
6-chloro-N-(dimethylaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 3459836
ethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate
CID 3839231
(NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine
CID 135504437
dimethyl (Z)-2-(5-chloro-2-phenyl-1H-indol-3-yl)but-2-enedioate
CID 102366287

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloro-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate?
The IUPAC name of methyl 2-(6-chloro-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate (CID 11858464) is methyl 2-(6-chloro-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate.
What is the SMILES notation for methyl 2-(6-chloro-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate?
The canonical SMILES for methyl 2-(6-chloro-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate is COC(=O)C(=O)C1CCc2c([nH]c3ccc(Cl)cc23)C1=O.
What is the InChIKey of methyl 2-(6-chloro-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate?
The InChIKey is OULPJDRFBOPLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-21-15(20)14(19)9-4-3-8-10-6-7(16)2-5-11(10)17-12(8)13(9)18/h2,5-6,9,17H,3-4H2,1H3.
What are the key properties of methyl 2-(6-chloro-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate?
methyl 2-(6-chloro-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate has a molecular weight of 305.72 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloro-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)-2-oxoacetate is sourced from PubChem (CID 11858464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).