ethyl 2-hydroxy-2-(6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)acetate

C17H19NO4 — CID 4553251

IUPACethyl 2-hydroxy-2-(6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)acetate
SMILESCCOC(=O)C(O)C1CCc2c([nH]c3ccc(C)cc23)C1=O
InChIInChI=1S/C17H19NO4/c1-3-22-17(21)16(20)11-6-5-10-12-8-9(2)4-7-13(12)18-14(10)15(11)19/h4,7-8,11,16,18,20H,3,5-6H2,1-2H3
InChIKeyNJWAXXNBRMHVPX-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.15
Rot. Bonds3

About ethyl 2-hydroxy-2-(6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)acetate

ethyl 2-hydroxy-2-(6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)acetate (PubChem CID 4553251) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)acetate
PubChem CID4553251
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Nameethyl 2-hydroxy-2-(6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)acetate
SMILESCCOC(=O)C(O)C1CCc2c([nH]c3ccc(C)cc23)C1=O
InChIInChI=1S/C17H19NO4/c1-3-22-17(21)16(20)11-6-5-10-12-8-9(2)4-7-13(12)18-14(10)15(11)19/h4,7-8,11,16,18,20H,3,5-6H2,1-2H3
InChIKeyNJWAXXNBRMHVPX-UHFFFAOYSA-N
XLogP2.15
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)acetate (CID 4553251) is ethyl 2-hydroxy-2-(6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)acetate is CCOC(=O)C(O)C1CCc2c([nH]c3ccc(C)cc23)C1=O.
What is the InChIKey of ethyl 2-hydroxy-2-(6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)acetate?
The InChIKey is NJWAXXNBRMHVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-22-17(21)16(20)11-6-5-10-12-8-9(2)4-7-13(12)18-14(10)15(11)19/h4,7-8,11,16,18,20H,3,5-6H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)acetate?
ethyl 2-hydroxy-2-(6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)acetate has a molecular weight of 301.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(6-methyl-1-oxo-2,3,4,9-tetrahydrocarbazol-2-yl)acetate is sourced from PubChem (CID 4553251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).