1-(2,2-dimethylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

C14H17NO5 — CID 50924260

IUPAC1-(2,2-dimethylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCC(OC(=O)c1cc2occc2[nH]1)OC(=O)C(C)(C)C
InChIInChI=1S/C14H17NO5/c1-8(20-13(17)14(2,3)4)19-12(16)10-7-11-9(15-10)5-6-18-11/h5-8,15H,1-4H3
InChIKeyRCMNYCXFMFVEEH-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.85
Rot. Bonds3

About 1-(2,2-dimethylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

1-(2,2-dimethylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 50924260) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID50924260
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-(2,2-dimethylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCC(OC(=O)c1cc2occc2[nH]1)OC(=O)C(C)(C)C
InChIInChI=1S/C14H17NO5/c1-8(20-13(17)14(2,3)4)19-12(16)10-7-11-9(15-10)5-6-18-11/h5-8,15H,1-4H3
InChIKeyRCMNYCXFMFVEEH-UHFFFAOYSA-N
XLogP2.85
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of 1-(2,2-dimethylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 50924260) is 1-(2,2-dimethylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for 1-(2,2-dimethylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for 1-(2,2-dimethylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is CC(OC(=O)c1cc2occc2[nH]1)OC(=O)C(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is RCMNYCXFMFVEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-8(20-13(17)14(2,3)4)19-12(16)10-7-11-9(15-10)5-6-18-11/h5-8,15H,1-4H3.
What are the key properties of 1-(2,2-dimethylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
1-(2,2-dimethylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 279.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 50924260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).