ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

C16H16N2O2 — CID 26342306

IUPACethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(c2c1)CCC[C@H]3C#N
InChIInChI=1S/C16H16N2O2/c1-2-20-16(19)10-6-7-14-13(8-10)12-5-3-4-11(9-17)15(12)18-14/h6-8,11,18H,2-5H2,1H3/t11-/m0/s1
InChIKeySFLUDBHDSVXCFC-NSHDSACASA-N
MW268.32 g/mol
LogP3.29
Rot. Bonds2

About ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (PubChem CID 26342306) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
PubChem CID26342306
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Nameethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(c2c1)CCC[C@H]3C#N
InChIInChI=1S/C16H16N2O2/c1-2-20-16(19)10-6-7-14-13(8-10)12-5-3-4-11(9-17)15(12)18-14/h6-8,11,18H,2-5H2,1H3/t11-/m0/s1
InChIKeySFLUDBHDSVXCFC-NSHDSACASA-N
XLogP3.29
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 23765459
ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
6-ethoxycarbonyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452698
ethyl 6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 11855333
ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
CID 165353814
ethyl (7E)-7-(dimethylaminomethylidene)-6-oxo-5,8,9,10-tetrahydrocyclohepta[b]indole-2-carboxylate
CID 69497456
8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 142652454
ethyl 2-cyclopropyl-1H-indole-5-carboxylate
CID 155891220
methyl 8-anilino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 159619714
ethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate
CID 135412762
2-(5-ethoxycarbonyl-2-methyl-1H-indol-3-yl)acetic acid
CID 21191839
ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 927791

Frequently Asked Questions

What is the IUPAC name of ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The IUPAC name of ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (CID 26342306) is ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.
What is the SMILES notation for ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The canonical SMILES for ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is CCOC(=O)c1ccc2[nH]c3c(c2c1)CCC[C@H]3C#N.
What is the InChIKey of ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The InChIKey is SFLUDBHDSVXCFC-NSHDSACASA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-20-16(19)10-6-7-14-13(8-10)12-5-3-4-11(9-17)15(12)18-14/h6-8,11,18H,2-5H2,1H3/t11-/m0/s1.
What are the key properties of ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is sourced from PubChem (CID 26342306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).