ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate

C17H22N2O2 — CID 12891788

IUPACethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate
SMILESCCOC(=O)c1ccc2c3c([nH]c2c1)CCC(N(C)C)C3
InChIInChI=1S/C17H22N2O2/c1-4-21-17(20)11-5-7-13-14-10-12(19(2)3)6-8-15(14)18-16(13)9-11/h5,7,9,12,18H,4,6,8,10H2,1-3H3
InChIKeyQGZOGMPOWYIHEG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.76
Rot. Bonds3

About ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate

ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate (PubChem CID 12891788) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate
PubChem CID12891788
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nameethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate
SMILESCCOC(=O)c1ccc2c3c([nH]c2c1)CCC(N(C)C)C3
InChIInChI=1S/C17H22N2O2/c1-4-21-17(20)11-5-7-13-14-10-12(19(2)3)6-8-15(14)18-16(13)9-11/h5,7,9,12,18H,4,6,8,10H2,1-3H3
InChIKeyQGZOGMPOWYIHEG-UHFFFAOYSA-N
XLogP2.76
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate?
The IUPAC name of ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate (CID 12891788) is ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate.
What is the SMILES notation for ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate?
The canonical SMILES for ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate is CCOC(=O)c1ccc2c3c([nH]c2c1)CCC(N(C)C)C3.
What is the InChIKey of ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate?
The InChIKey is QGZOGMPOWYIHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-21-17(20)11-5-7-13-14-10-12(19(2)3)6-8-15(14)18-16(13)9-11/h5,7,9,12,18H,4,6,8,10H2,1-3H3.
What are the key properties of ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate?
ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate has a molecular weight of 286.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate is sourced from PubChem (CID 12891788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).