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

C15H19NO5 — CID 58133893

IUPAC1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCC(OC(=O)c1cc2occc2[nH]1)OC(=O)C(C)(C)C
InChIInChI=1S/C15H19NO5/c1-5-12(21-14(18)15(2,3)4)20-13(17)10-8-11-9(16-10)6-7-19-11/h6-8,12,16H,5H2,1-4H3
InChIKeyXUVPPRHFOCLXSD-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.24
Rot. Bonds4

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

1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 58133893) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID58133893
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCC(OC(=O)c1cc2occc2[nH]1)OC(=O)C(C)(C)C
InChIInChI=1S/C15H19NO5/c1-5-12(21-14(18)15(2,3)4)20-13(17)10-8-11-9(16-10)6-7-19-11/h6-8,12,16H,5H2,1-4H3
InChIKeyXUVPPRHFOCLXSD-UHFFFAOYSA-N
XLogP3.24
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.24
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)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of 1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 58133893) is 1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for 1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for 1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate is CCC(OC(=O)c1cc2occc2[nH]1)OC(=O)C(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is XUVPPRHFOCLXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-5-12(21-14(18)15(2,3)4)20-13(17)10-8-11-9(16-10)6-7-19-11/h6-8,12,16H,5H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 58133893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).