ethyl 3-methylcarbazole-9-carboxylate

C16H15NO2 — CID 10354902

IUPACethyl 3-methylcarbazole-9-carboxylate
SMILESCCOC(=O)n1c2ccccc2c2cc(C)ccc21
InChIInChI=1S/C16H15NO2/c1-3-19-16(18)17-14-7-5-4-6-12(14)13-10-11(2)8-9-15(13)17/h4-10H,3H2,1-2H3
InChIKeyOZYJBMQHTNVEAD-UHFFFAOYSA-N
MW253.30 g/mol
LogP4.11
Rot. Bonds1

About ethyl 3-methylcarbazole-9-carboxylate

ethyl 3-methylcarbazole-9-carboxylate (PubChem CID 10354902) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 3-methylcarbazole-9-carboxylate.

Molecular Properties

Compound Nameethyl 3-methylcarbazole-9-carboxylate
PubChem CID10354902
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Nameethyl 3-methylcarbazole-9-carboxylate
SMILESCCOC(=O)n1c2ccccc2c2cc(C)ccc21
InChIInChI=1S/C16H15NO2/c1-3-19-16(18)17-14-7-5-4-6-12(14)13-10-11(2)8-9-15(13)17/h4-10H,3H2,1-2H3
InChIKeyOZYJBMQHTNVEAD-UHFFFAOYSA-N
XLogP4.11
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methylcarbazole-9-carboxylate?
The IUPAC name of ethyl 3-methylcarbazole-9-carboxylate (CID 10354902) is ethyl 3-methylcarbazole-9-carboxylate.
What is the SMILES notation for ethyl 3-methylcarbazole-9-carboxylate?
The canonical SMILES for ethyl 3-methylcarbazole-9-carboxylate is CCOC(=O)n1c2ccccc2c2cc(C)ccc21.
What is the InChIKey of ethyl 3-methylcarbazole-9-carboxylate?
The InChIKey is OZYJBMQHTNVEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-3-19-16(18)17-14-7-5-4-6-12(14)13-10-11(2)8-9-15(13)17/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 3-methylcarbazole-9-carboxylate?
ethyl 3-methylcarbazole-9-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methylcarbazole-9-carboxylate is sourced from PubChem (CID 10354902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).