ethyl 8-formamido-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

C16H18N2O3 — CID 2840515

IUPACethyl 8-formamido-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(c2c1)CCCC3NC=O
InChIInChI=1S/C16H18N2O3/c1-2-21-16(20)10-6-7-13-12(8-10)11-4-3-5-14(17-9-19)15(11)18-13/h6-9,14,18H,2-5H2,1H3,(H,17,19)
InChIKeyMXEQDRYQXJDDCX-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.47
Rot. Bonds4

About ethyl 8-formamido-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

ethyl 8-formamido-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (PubChem CID 2840515) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 8-formamido-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-formamido-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
PubChem CID2840515
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl 8-formamido-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(c2c1)CCCC3NC=O
InChIInChI=1S/C16H18N2O3/c1-2-21-16(20)10-6-7-13-12(8-10)11-4-3-5-14(17-9-19)15(11)18-13/h6-9,14,18H,2-5H2,1H3,(H,17,19)
InChIKeyMXEQDRYQXJDDCX-UHFFFAOYSA-N
XLogP2.47
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-formamido-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The IUPAC name of ethyl 8-formamido-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (CID 2840515) is ethyl 8-formamido-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.
What is the SMILES notation for ethyl 8-formamido-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The canonical SMILES for ethyl 8-formamido-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is CCOC(=O)c1ccc2[nH]c3c(c2c1)CCCC3NC=O.
What is the InChIKey of ethyl 8-formamido-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The InChIKey is MXEQDRYQXJDDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-21-16(20)10-6-7-13-12(8-10)11-4-3-5-14(17-9-19)15(11)18-13/h6-9,14,18H,2-5H2,1H3,(H,17,19).
What are the key properties of ethyl 8-formamido-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
ethyl 8-formamido-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-formamido-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is sourced from PubChem (CID 2840515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).