ethyl 5,6,7,8-tetrahydro-4aH-carbazole-3-carboxylate

C15H17NO2 — CID 618292

IUPACethyl 5,6,7,8-tetrahydro-4aH-carbazole-3-carboxylate
SMILESCCOC(=O)C1=CC2C(=NC3=C2CCCC3)C=C1
InChIInChI=1S/C15H17NO2/c1-2-18-15(17)10-7-8-14-12(9-10)11-5-3-4-6-13(11)16-14/h7-9,12H,2-6H2,1H3
InChIKeyQLVGWTHGDHCVBY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.94
Rot. Bonds2

About ethyl 5,6,7,8-tetrahydro-4aH-carbazole-3-carboxylate

ethyl 5,6,7,8-tetrahydro-4aH-carbazole-3-carboxylate (PubChem CID 618292) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl 5,6,7,8-tetrahydro-4aH-carbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,6,7,8-tetrahydro-4aH-carbazole-3-carboxylate
PubChem CID618292
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Nameethyl 5,6,7,8-tetrahydro-4aH-carbazole-3-carboxylate
SMILESCCOC(=O)C1=CC2C(=NC3=C2CCCC3)C=C1
InChIInChI=1S/C15H17NO2/c1-2-18-15(17)10-7-8-14-12(9-10)11-5-3-4-6-13(11)16-14/h7-9,12H,2-6H2,1H3
InChIKeyQLVGWTHGDHCVBY-UHFFFAOYSA-N
XLogP2.94
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,6,7,8-tetrahydro-4aH-carbazole-3-carboxylate?
The IUPAC name of ethyl 5,6,7,8-tetrahydro-4aH-carbazole-3-carboxylate (CID 618292) is ethyl 5,6,7,8-tetrahydro-4aH-carbazole-3-carboxylate.
What is the SMILES notation for ethyl 5,6,7,8-tetrahydro-4aH-carbazole-3-carboxylate?
The canonical SMILES for ethyl 5,6,7,8-tetrahydro-4aH-carbazole-3-carboxylate is CCOC(=O)C1=CC2C(=NC3=C2CCCC3)C=C1.
What is the InChIKey of ethyl 5,6,7,8-tetrahydro-4aH-carbazole-3-carboxylate?
The InChIKey is QLVGWTHGDHCVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-18-15(17)10-7-8-14-12(9-10)11-5-3-4-6-13(11)16-14/h7-9,12H,2-6H2,1H3.
What are the key properties of ethyl 5,6,7,8-tetrahydro-4aH-carbazole-3-carboxylate?
ethyl 5,6,7,8-tetrahydro-4aH-carbazole-3-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6,7,8-tetrahydro-4aH-carbazole-3-carboxylate is sourced from PubChem (CID 618292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).