tert-butyl 2-cyclohexylpyrrole-1-carboxylate

C15H23NO2 — CID 166153519

IUPACtert-butyl 2-cyclohexylpyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cccc1C1CCCCC1
InChIInChI=1S/C15H23NO2/c1-15(2,3)18-14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h7,10-12H,4-6,8-9H2,1-3H3
InChIKeyGDSILJJQEIXMRQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.32
Rot. Bonds1

About tert-butyl 2-cyclohexylpyrrole-1-carboxylate

tert-butyl 2-cyclohexylpyrrole-1-carboxylate (PubChem CID 166153519) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is tert-butyl 2-cyclohexylpyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-cyclohexylpyrrole-1-carboxylate
PubChem CID166153519
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nametert-butyl 2-cyclohexylpyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cccc1C1CCCCC1
InChIInChI=1S/C15H23NO2/c1-15(2,3)18-14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h7,10-12H,4-6,8-9H2,1-3H3
InChIKeyGDSILJJQEIXMRQ-UHFFFAOYSA-N
XLogP4.32
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(3-hydroxycyclopentyl)pyrrole-1-carboxylate
CID 167206401
tert-butyl 2-(cyclohexylmethyl)pyrrole-1-carboxylate
CID 131744647
tert-butyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]sulfanylpyrrole-1-carboxylate
CID 10499010
ethyl (3S,4S)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]piperidine-3-carboxylate
CID 118700747
tert-butyl 2-[3-cyclohexyl-6-(methylperoxymethyl)-1H-indol-2-yl]pyrrole-1-carboxylate
CID 87160013
tert-butyl 2-(9,9-dioxo-9λ6-thiabicyclo[3.3.1]non-2-en-3-yl)pyrrole-1-carboxylate
CID 171972607
lithium tert-butyl 3-cyclohexyl-1-methylisoquinolin-1-ide-2-carboxylate
CID 10019730
tert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate
CID 10957814
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
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 2-benzoylpyrrole-1-carboxylate
CID 12679450
lithium tert-butyl 3-cyclohexyl-1H-isoquinolin-1-ide-2-carboxylate
CID 10064547

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclohexylpyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-cyclohexylpyrrole-1-carboxylate (CID 166153519) is tert-butyl 2-cyclohexylpyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-cyclohexylpyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-cyclohexylpyrrole-1-carboxylate is CC(C)(C)OC(=O)n1cccc1C1CCCCC1.
What is the InChIKey of tert-butyl 2-cyclohexylpyrrole-1-carboxylate?
The InChIKey is GDSILJJQEIXMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,3)18-14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h7,10-12H,4-6,8-9H2,1-3H3.
What are the key properties of tert-butyl 2-cyclohexylpyrrole-1-carboxylate?
tert-butyl 2-cyclohexylpyrrole-1-carboxylate has a molecular weight of 249.35 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyclohexylpyrrole-1-carboxylate is sourced from PubChem (CID 166153519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).