ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate

C16H17NO3 — CID 23559459

IUPACethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
SMILESCCOC(=O)C1CCc2[nH]c3ccc(C=O)cc3c2C1
InChIInChI=1S/C16H17NO3/c1-2-20-16(19)11-4-6-15-13(8-11)12-7-10(9-18)3-5-14(12)17-15/h3,5,7,9,11,17H,2,4,6,8H2,1H3
InChIKeyWHJJPQXDBKBKIF-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.65
Rot. Bonds3

About ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate

ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate (PubChem CID 23559459) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
PubChem CID23559459
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
SMILESCCOC(=O)C1CCc2[nH]c3ccc(C=O)cc3c2C1
InChIInChI=1S/C16H17NO3/c1-2-20-16(19)11-4-6-15-13(8-11)12-7-10(9-18)3-5-14(12)17-15/h3,5,7,9,11,17H,2,4,6,8H2,1H3
InChIKeyWHJJPQXDBKBKIF-UHFFFAOYSA-N
XLogP2.65
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-bromo-5-carbamoyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
CID 90376570
ethyl 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate
CID 15284090
3-bromo-6-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
CID 66604417
ethyl (2R)-5-formyl-2,3-dihydro-1H-indene-2-carboxylate
CID 129386835
ethyl 4-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 113204130
ethyl 4-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-3-carbonyl)amino]benzoate
CID 113203916
N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612972
6-ethoxycarbonyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452698
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
ethyl 6-hydroxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 70288110
6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113204140
ethyl 3-oxo-1,2,4,5,6,7-hexahydroindazole-5-carboxylate
CID 129009642

Frequently Asked Questions

What is the IUPAC name of ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate?
The IUPAC name of ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate (CID 23559459) is ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate.
What is the SMILES notation for ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate?
The canonical SMILES for ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate is CCOC(=O)C1CCc2[nH]c3ccc(C=O)cc3c2C1.
What is the InChIKey of ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate?
The InChIKey is WHJJPQXDBKBKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-20-16(19)11-4-6-15-13(8-11)12-7-10(9-18)3-5-14(12)17-15/h3,5,7,9,11,17H,2,4,6,8H2,1H3.
What are the key properties of ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate?
ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-formyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate is sourced from PubChem (CID 23559459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).