9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate

C19H19NO4 — CID 132516778

IUPAC9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate
SMILESCOC(=O)c1cccc2c1c1ccccc1n2C(=O)OC(C)(C)C
InChIInChI=1S/C19H19NO4/c1-19(2,3)24-18(22)20-14-10-6-5-8-12(14)16-13(17(21)23-4)9-7-11-15(16)20/h5-11H,1-4H3
InChIKeyDKAPEAVWBCYSPQ-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.36
Rot. Bonds1

About 9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate

9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate (PubChem CID 132516778) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate.

Molecular Properties

Compound Name9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate
PubChem CID132516778
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate
SMILESCOC(=O)c1cccc2c1c1ccccc1n2C(=O)OC(C)(C)C
InChIInChI=1S/C19H19NO4/c1-19(2,3)24-18(22)20-14-10-6-5-8-12(14)16-13(17(21)23-4)9-7-11-15(16)20/h5-11H,1-4H3
InChIKeyDKAPEAVWBCYSPQ-UHFFFAOYSA-N
XLogP4.36
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-O-tert-butyl 3-O-methyl 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyloxy]carbazole-3,9-dicarboxylate
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1-O-tert-butyl 2-O-methyl 3-(hydroxymethyl)indole-1,2-dicarboxylate
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tert-butyl 3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate
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tert-butyl 2,3-dichloroindole-1-carboxylate
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tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate
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tert-butyl 2-bromo-3-carbamoylindole-1-carboxylate
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1-O-tert-butyl 2-O-methyl 4-(2-methylprop-1-enyl)indole-1,2-dicarboxylate
CID 146349354
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Frequently Asked Questions

What is the IUPAC name of 9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate?
The IUPAC name of 9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate (CID 132516778) is 9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate.
What is the SMILES notation for 9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate?
The canonical SMILES for 9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate is COC(=O)c1cccc2c1c1ccccc1n2C(=O)OC(C)(C)C.
What is the InChIKey of 9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate?
The InChIKey is DKAPEAVWBCYSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-19(2,3)24-18(22)20-14-10-6-5-8-12(14)16-13(17(21)23-4)9-7-11-15(16)20/h5-11H,1-4H3.
What are the key properties of 9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate?
9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate has a molecular weight of 325.36 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate is sourced from PubChem (CID 132516778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).