methyl 7-tert-butyl-9H-carbazole-3-carboxylate

C18H19NO2 — CID 46244082

IUPACmethyl 7-tert-butyl-9H-carbazole-3-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3cc(C(C)(C)C)ccc3c2c1
InChIInChI=1S/C18H19NO2/c1-18(2,3)12-6-7-13-14-9-11(17(20)21-4)5-8-15(14)19-16(13)10-12/h5-10,19H,1-4H3
InChIKeyUIUMIPOASYICHI-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.41
Rot. Bonds1

About methyl 7-tert-butyl-9H-carbazole-3-carboxylate

methyl 7-tert-butyl-9H-carbazole-3-carboxylate (PubChem CID 46244082) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 7-tert-butyl-9H-carbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-tert-butyl-9H-carbazole-3-carboxylate
PubChem CID46244082
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namemethyl 7-tert-butyl-9H-carbazole-3-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3cc(C(C)(C)C)ccc3c2c1
InChIInChI=1S/C18H19NO2/c1-18(2,3)12-6-7-13-14-9-11(17(20)21-4)5-8-15(14)19-16(13)10-12/h5-10,19H,1-4H3
InChIKeyUIUMIPOASYICHI-UHFFFAOYSA-N
XLogP4.41
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 7-tert-butyl-9H-carbazole-3-carboxylate?
The IUPAC name of methyl 7-tert-butyl-9H-carbazole-3-carboxylate (CID 46244082) is methyl 7-tert-butyl-9H-carbazole-3-carboxylate.
What is the SMILES notation for methyl 7-tert-butyl-9H-carbazole-3-carboxylate?
The canonical SMILES for methyl 7-tert-butyl-9H-carbazole-3-carboxylate is COC(=O)c1ccc2[nH]c3cc(C(C)(C)C)ccc3c2c1.
What is the InChIKey of methyl 7-tert-butyl-9H-carbazole-3-carboxylate?
The InChIKey is UIUMIPOASYICHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2,3)12-6-7-13-14-9-11(17(20)21-4)5-8-15(14)19-16(13)10-12/h5-10,19H,1-4H3.
What are the key properties of methyl 7-tert-butyl-9H-carbazole-3-carboxylate?
methyl 7-tert-butyl-9H-carbazole-3-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-tert-butyl-9H-carbazole-3-carboxylate is sourced from PubChem (CID 46244082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).