ethyl 4-methyl-9H-carbazole-2-carboxylate

C16H15NO2 — CID 14636527

IUPACethyl 4-methyl-9H-carbazole-2-carboxylate
SMILESCCOC(=O)c1cc(C)c2c(c1)[nH]c1ccccc12
InChIInChI=1S/C16H15NO2/c1-3-19-16(18)11-8-10(2)15-12-6-4-5-7-13(12)17-14(15)9-11/h4-9,17H,3H2,1-2H3
InChIKeyRVFRZYNOFPQNAP-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.81
Rot. Bonds2

About ethyl 4-methyl-9H-carbazole-2-carboxylate

ethyl 4-methyl-9H-carbazole-2-carboxylate (PubChem CID 14636527) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 4-methyl-9H-carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-9H-carbazole-2-carboxylate
PubChem CID14636527
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Nameethyl 4-methyl-9H-carbazole-2-carboxylate
SMILESCCOC(=O)c1cc(C)c2c(c1)[nH]c1ccccc12
InChIInChI=1S/C16H15NO2/c1-3-19-16(18)11-8-10(2)15-12-6-4-5-7-13(12)17-14(15)9-11/h4-9,17H,3H2,1-2H3
InChIKeyRVFRZYNOFPQNAP-UHFFFAOYSA-N
XLogP3.81
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-9H-carbazole-2-carboxylate?
The IUPAC name of ethyl 4-methyl-9H-carbazole-2-carboxylate (CID 14636527) is ethyl 4-methyl-9H-carbazole-2-carboxylate.
What is the SMILES notation for ethyl 4-methyl-9H-carbazole-2-carboxylate?
The canonical SMILES for ethyl 4-methyl-9H-carbazole-2-carboxylate is CCOC(=O)c1cc(C)c2c(c1)[nH]c1ccccc12.
What is the InChIKey of ethyl 4-methyl-9H-carbazole-2-carboxylate?
The InChIKey is RVFRZYNOFPQNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-3-19-16(18)11-8-10(2)15-12-6-4-5-7-13(12)17-14(15)9-11/h4-9,17H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-9H-carbazole-2-carboxylate?
ethyl 4-methyl-9H-carbazole-2-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-9H-carbazole-2-carboxylate is sourced from PubChem (CID 14636527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).