ethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate

C23H29NO3 — CID 72702213

IUPACethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate
SMILESCCOC(=O)n1c2c(c3ccccc31)C(C(C)=O)CC(C1CCCCC1)C2
InChIInChI=1S/C23H29NO3/c1-3-27-23(26)24-20-12-8-7-11-18(20)22-19(15(2)25)13-17(14-21(22)24)16-9-5-4-6-10-16/h7-8,11-12,16-17,19H,3-6,9-10,13-14H2,1-2H3
InChIKeyLQOCNZICZGHEFL-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.46
Rot. Bonds3

About ethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate

ethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate (PubChem CID 72702213) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is ethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate
PubChem CID72702213
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Nameethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate
SMILESCCOC(=O)n1c2c(c3ccccc31)C(C(C)=O)CC(C1CCCCC1)C2
InChIInChI=1S/C23H29NO3/c1-3-27-23(26)24-20-12-8-7-11-18(20)22-19(15(2)25)13-17(14-21(22)24)16-9-5-4-6-10-16/h7-8,11-12,16-17,19H,3-6,9-10,13-14H2,1-2H3
InChIKeyLQOCNZICZGHEFL-UHFFFAOYSA-N
XLogP5.46
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S,3S,4S)-3-acetyl-2-cyclohexyl-4-phenyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate
CID 72702339
ethane;1-(9-ethyl-1,2,3,4-tetrahydrocarbazol-4-yl)ethanone
CID 91537262
ethyl (2R,3S)-3-acetyl-2-(4-fluorophenyl)-1,2,3,4-tetrahydrocarbazole-9-carboxylate
CID 102432092
ethyl 2-carbazol-9-ylprop-2-enoate
CID 23150324
9-O-tert-butyl 4-O-ethyl (2S,4S)-2-ethoxy-3,4-dihydro-2H-pyrano[2,3-b]indole-4,9-dicarboxylate
CID 102220754
methyl (3aS,10cR)-2-ethyl-1-prop-2-enyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate
CID 16724031
methyl 1-methyl-2,3,3a,4,5,10c-hexahydropyrrolo[3,2-c]carbazole-6-carboxylate
CID 102085932
tert-butyl 1-(2-chloroethoxy)-2,3-dihydro-1H-cyclopenta[b]indole-4-carboxylate
CID 51356521
ethyl 3-amino-2-benzoylindole-1-carboxylate
CID 10638516
(4R)-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 129405918
15-O-benzyl 9-O-tert-butyl 17-oxo-9,15-diazatetracyclo[10.3.2.02,10.03,8]heptadeca-2(10),3,5,7-tetraene-9,15-dicarboxylate
CID 102258390
ethyl 3-(2-acetyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)-2-diazo-3-oxopropanoate
CID 102471751

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate (CID 72702213) is ethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate is CCOC(=O)n1c2c(c3ccccc31)C(C(C)=O)CC(C1CCCCC1)C2.
What is the InChIKey of ethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate?
The InChIKey is LQOCNZICZGHEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-3-27-23(26)24-20-12-8-7-11-18(20)22-19(15(2)25)13-17(14-21(22)24)16-9-5-4-6-10-16/h7-8,11-12,16-17,19H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of ethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate?
ethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate has a molecular weight of 367.49 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-2-cyclohexyl-1,2,3,4-tetrahydrocarbazole-9-carboxylate is sourced from PubChem (CID 72702213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).