tert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate

C19H19NO2 — CID 15851800

IUPACtert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cccc1-c1cccc2ccccc12
InChIInChI=1S/C19H19NO2/c1-19(2,3)22-18(21)20-13-7-12-17(20)16-11-6-9-14-8-4-5-10-15(14)16/h4-13H,1-3H3
InChIKeyNNPKULCAOGNTID-UHFFFAOYSA-N
MW293.37 g/mol
LogP5.09
Rot. Bonds1

About tert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate

tert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate (PubChem CID 15851800) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate
PubChem CID15851800
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Nametert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cccc1-c1cccc2ccccc12
InChIInChI=1S/C19H19NO2/c1-19(2,3)22-18(21)20-13-7-12-17(20)16-11-6-9-14-8-4-5-10-15(14)16/h4-13H,1-3H3
InChIKeyNNPKULCAOGNTID-UHFFFAOYSA-N
XLogP5.09
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.37
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate
CID 10642616
tert-butyl 2-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrole-1-carboxylate
CID 56839230
tert-butyl 2-thiophen-2-ylpyrrole-1-carboxylate
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tert-butyl 2-(3-nitro-1H-indol-2-yl)pyrrole-1-carboxylate
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tert-butyl 2-[5-tert-butyl-3-[9-[5-tert-butyl-2-methoxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]-1,10-phenanthrolin-2-yl]-2-methoxyphenyl]pyrrole-1-carboxylate
CID 59271135
tert-butyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]sulfanylpyrrole-1-carboxylate
CID 10499010
tert-butyl 2-[1-(1-benzofuran-2-yl)-3-methylbutyl]pyrrole-1-carboxylate
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tert-butyl 2-[3-amino-5-(trifluoromethyl)phenyl]pyrrole-1-carboxylate
CID 58902477
tert-butyl 2-[(E)-2-[2-[(E)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]ethenyl]phenyl]ethenyl]pyrrole-1-carboxylate
CID 102376749
tert-butyl 4-oxoquinoline-1-carboxylate
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tert-butyl 2-benzoylpyrrole-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate (CID 15851800) is tert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate is CC(C)(C)OC(=O)n1cccc1-c1cccc2ccccc12.
What is the InChIKey of tert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate?
The InChIKey is NNPKULCAOGNTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-19(2,3)22-18(21)20-13-7-12-17(20)16-11-6-9-14-8-4-5-10-15(14)16/h4-13H,1-3H3.
What are the key properties of tert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate?
tert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate is sourced from PubChem (CID 15851800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).