1-cyclohexyloxycarbonyloxyethyl 1H-pyrrole-2-carboxylate

C14H19NO5 — CID 141101491

IUPAC1-cyclohexyloxycarbonyloxyethyl 1H-pyrrole-2-carboxylate
SMILESCC(OC(=O)OC1CCCCC1)OC(=O)c1ccc[nH]1
InChIInChI=1S/C14H19NO5/c1-10(18-13(16)12-8-5-9-15-12)19-14(17)20-11-6-3-2-4-7-11/h5,8-11,15H,2-4,6-7H2,1H3
InChIKeyAOSIHLSWLIPPMX-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.00
Rot. Bonds4

About 1-cyclohexyloxycarbonyloxyethyl 1H-pyrrole-2-carboxylate

1-cyclohexyloxycarbonyloxyethyl 1H-pyrrole-2-carboxylate (PubChem CID 141101491) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-cyclohexyloxycarbonyloxyethyl 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name1-cyclohexyloxycarbonyloxyethyl 1H-pyrrole-2-carboxylate
PubChem CID141101491
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-cyclohexyloxycarbonyloxyethyl 1H-pyrrole-2-carboxylate
SMILESCC(OC(=O)OC1CCCCC1)OC(=O)c1ccc[nH]1
InChIInChI=1S/C14H19NO5/c1-10(18-13(16)12-8-5-9-15-12)19-14(17)20-11-6-3-2-4-7-11/h5,8-11,15H,2-4,6-7H2,1H3
InChIKeyAOSIHLSWLIPPMX-UHFFFAOYSA-N
XLogP3.00
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyloxycarbonyloxyethyl 1H-benzimidazole-4-carboxylate
CID 69396926
1-cyclohexyloxycarbonyloxyethyl 3H-benzimidazole-5-carboxylate
CID 67011476
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate
CID 9382185
[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate
CID 8548547
[10-(1H-pyrrole-2-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] 1H-pyrrole-2-carboxylate
CID 170674267
cyclohexyl(1H-pyrrol-2-yl)methanone
CID 13432026
1-cyclohexyloxycarbonyloxyethyl 2-(1-methylpiperidin-4-yl)acetate
CID 58281328
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
N-cyclooctyl-2-oxo-2-(1H-pyrrol-2-yl)acetamide
CID 53123793
dicyclononyl carbonate
CID 139618210
1-cyclohexyloxycarbonyloxyethyl (3S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 88979422
1-cyclohexyloxycarbonyloxyethyl (3R)-3-(3,3-difluoro-2-oxopentyl)-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylate
CID 159670957

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxycarbonyloxyethyl 1H-pyrrole-2-carboxylate?
The IUPAC name of 1-cyclohexyloxycarbonyloxyethyl 1H-pyrrole-2-carboxylate (CID 141101491) is 1-cyclohexyloxycarbonyloxyethyl 1H-pyrrole-2-carboxylate.
What is the SMILES notation for 1-cyclohexyloxycarbonyloxyethyl 1H-pyrrole-2-carboxylate?
The canonical SMILES for 1-cyclohexyloxycarbonyloxyethyl 1H-pyrrole-2-carboxylate is CC(OC(=O)OC1CCCCC1)OC(=O)c1ccc[nH]1.
What is the InChIKey of 1-cyclohexyloxycarbonyloxyethyl 1H-pyrrole-2-carboxylate?
The InChIKey is AOSIHLSWLIPPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-10(18-13(16)12-8-5-9-15-12)19-14(17)20-11-6-3-2-4-7-11/h5,8-11,15H,2-4,6-7H2,1H3.
What are the key properties of 1-cyclohexyloxycarbonyloxyethyl 1H-pyrrole-2-carboxylate?
1-cyclohexyloxycarbonyloxyethyl 1H-pyrrole-2-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxycarbonyloxyethyl 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 141101491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).