ethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate

C15H15NO3 — CID 139081220

IUPACethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCc2[nH]c3ccccc3c2C1=O
InChIInChI=1S/C15H15NO3/c1-2-19-15(18)10-7-8-12-13(14(10)17)9-5-3-4-6-11(9)16-12/h3-6,10,16H,2,7-8H2,1H3/t10-/m1/s1
InChIKeyVTIVCTQCNXXZBG-SNVBAGLBSA-N
MW257.29 g/mol
LogP2.48
Rot. Bonds2

About ethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate

ethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate (PubChem CID 139081220) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate
PubChem CID139081220
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Nameethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCc2[nH]c3ccccc3c2C1=O
InChIInChI=1S/C15H15NO3/c1-2-19-15(18)10-7-8-12-13(14(10)17)9-5-3-4-6-11(9)16-12/h3-6,10,16H,2,7-8H2,1H3/t10-/m1/s1
InChIKeyVTIVCTQCNXXZBG-SNVBAGLBSA-N
XLogP2.48
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(diethylaminomethyl)-1,2,3,9-tetrahydrocarbazol-4-one
CID 21234649
ethyl (1S,12S,15R)-9-azatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene-15-carboxylate
CID 134194719
ethyl 1-methyl-4,5-dihydro-3H-pyrido[4,3-b]indole-3-carboxylate
CID 137276983
ethyl 2,3-dioxocyclopentane-1-carboxylate
CID 130026867
3-[(2,4-dimethylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one
CID 130220827
ethyl (1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate
CID 92857663
ethyl 2-oxo-2-(3-oxo-2,4-dihydro-1H-cyclopenta[b]indol-2-yl)acetate
CID 3839231
diethyl (6R,8S)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulene-6,8-dicarboxylate
CID 92522808
ethyl (1S,11bR)-11b-methyl-4-oxo-2,3,4a,5,6,11-hexahydro-1H-benzo[a]carbazole-1-carboxylate
CID 10358966
ethyl 2-(2-ethoxy-2-oxoethyl)-1-oxo-2,3,4,9-tetrahydrocarbazole-3-carboxylate
CID 156612660
ethyl 2-[(2S)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]acetate
CID 11470561
ethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate
CID 905333

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate?
The IUPAC name of ethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate (CID 139081220) is ethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate.
What is the SMILES notation for ethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate?
The canonical SMILES for ethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate is CCOC(=O)[C@@H]1CCc2[nH]c3ccccc3c2C1=O.
What is the InChIKey of ethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate?
The InChIKey is VTIVCTQCNXXZBG-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-19-15(18)10-7-8-12-13(14(10)17)9-5-3-4-6-11(9)16-12/h3-6,10,16H,2,7-8H2,1H3/t10-/m1/s1.
What are the key properties of ethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate?
ethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-4-oxo-1,2,3,9-tetrahydrocarbazole-3-carboxylate is sourced from PubChem (CID 139081220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).