(8R)-8-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate

C16H16NO4- — CID 6945046

IUPAC(8R)-8-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCCc2c1[nH]c1c(C(=O)[O-])cccc21
InChIInChI=1S/C16H17NO4/c1-2-21-16(20)12-8-4-6-10-9-5-3-7-11(15(18)19)13(9)17-14(10)12/h3,5,7,12,17H,2,4,6,8H2,1H3,(H,18,19)/p-1/t12-/m1/s1
InChIKeyYPSSTTBPDIPQEB-GFCCVEGCSA-M
MW286.31 g/mol
LogP1.51
Rot. Bonds3

About (8R)-8-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate

(8R)-8-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate (PubChem CID 6945046) has the molecular formula C16H16NO4- and a molecular weight of 286.31 g/mol. Its IUPAC name is (8R)-8-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate.

Molecular Properties

Compound Name(8R)-8-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
PubChem CID6945046
Molecular FormulaC16H16NO4-
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name(8R)-8-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCCc2c1[nH]c1c(C(=O)[O-])cccc21
InChIInChI=1S/C16H17NO4/c1-2-21-16(20)12-8-4-6-10-9-5-3-7-11(15(18)19)13(9)17-14(10)12/h3,5,7,12,17H,2,4,6,8H2,1H3,(H,18,19)/p-1/t12-/m1/s1
InChIKeyYPSSTTBPDIPQEB-GFCCVEGCSA-M
XLogP1.51
TPSA82.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The IUPAC name of (8R)-8-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate (CID 6945046) is (8R)-8-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate.
What is the SMILES notation for (8R)-8-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The canonical SMILES for (8R)-8-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate is CCOC(=O)[C@@H]1CCCc2c1[nH]c1c(C(=O)[O-])cccc21.
What is the InChIKey of (8R)-8-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
The InChIKey is YPSSTTBPDIPQEB-GFCCVEGCSA-M. The full InChI is InChI=1S/C16H17NO4/c1-2-21-16(20)12-8-4-6-10-9-5-3-7-11(15(18)19)13(9)17-14(10)12/h3,5,7,12,17H,2,4,6,8H2,1H3,(H,18,19)/p-1/t12-/m1/s1.
What are the key properties of (8R)-8-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate?
(8R)-8-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate has a molecular weight of 286.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate is sourced from PubChem (CID 6945046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).