1-cyclohexyloxycarbonyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

C16H19NO6 — CID 45101538

IUPAC1-cyclohexyloxycarbonyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCC(OC(=O)OC1CCCCC1)OC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C16H19NO6/c1-10(22-16(19)23-11-5-3-2-4-6-11)21-15(18)13-9-14-12(17-13)7-8-20-14/h7-11,17H,2-6H2,1H3
InChIKeyPQSOAWOSIOFNNB-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.75
Rot. Bonds4

About 1-cyclohexyloxycarbonyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

1-cyclohexyloxycarbonyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 45101538) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is 1-cyclohexyloxycarbonyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name1-cyclohexyloxycarbonyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID45101538
Molecular FormulaC16H19NO6
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC Name1-cyclohexyloxycarbonyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCC(OC(=O)OC1CCCCC1)OC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C16H19NO6/c1-10(22-16(19)23-11-5-3-2-4-6-11)21-15(18)13-9-14-12(17-13)7-8-20-14/h7-11,17H,2-6H2,1H3
InChIKeyPQSOAWOSIOFNNB-UHFFFAOYSA-N
XLogP3.75
TPSA90.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxycarbonyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of 1-cyclohexyloxycarbonyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 45101538) is 1-cyclohexyloxycarbonyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for 1-cyclohexyloxycarbonyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for 1-cyclohexyloxycarbonyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is CC(OC(=O)OC1CCCCC1)OC(=O)c1cc2occc2[nH]1.
What is the InChIKey of 1-cyclohexyloxycarbonyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is PQSOAWOSIOFNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO6/c1-10(22-16(19)23-11-5-3-2-4-6-11)21-15(18)13-9-14-12(17-13)7-8-20-14/h7-11,17H,2-6H2,1H3.
What are the key properties of 1-cyclohexyloxycarbonyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
1-cyclohexyloxycarbonyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxycarbonyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 45101538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).