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

C15H16ClNO2 — CID 2915792

IUPACethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
SMILESCCOC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C15H16ClNO2/c1-2-19-15(18)11-5-3-4-10-12-8-9(16)6-7-13(12)17-14(10)11/h6-8,11,17H,2-5H2,1H3
InChIKeyKWLHEFQPHANDGF-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.80
Rot. Bonds2

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

ethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate (PubChem CID 2915792) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is ethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
PubChem CID2915792
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Nameethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
SMILESCCOC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C15H16ClNO2/c1-2-19-15(18)11-5-3-4-10-12-8-9(16)6-7-13(12)17-14(10)11/h6-8,11,17H,2-5H2,1H3
InChIKeyKWLHEFQPHANDGF-UHFFFAOYSA-N
XLogP3.80
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate?
The IUPAC name of ethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate (CID 2915792) is ethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate.
What is the SMILES notation for ethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate?
The canonical SMILES for ethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate is CCOC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of ethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate?
The InChIKey is KWLHEFQPHANDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-2-19-15(18)11-5-3-4-10-12-8-9(16)6-7-13(12)17-14(10)11/h6-8,11,17H,2-5H2,1H3.
What are the key properties of ethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate?
ethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate has a molecular weight of 277.75 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate is sourced from PubChem (CID 2915792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).