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

C15H19NO5 — CID 50924110

IUPAC[2-methyl-1-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCC(C)C(=O)OC(OC(=O)c1cc2occc2[nH]1)C(C)C
InChIInChI=1S/C15H19NO5/c1-8(2)13(17)20-15(9(3)4)21-14(18)11-7-12-10(16-11)5-6-19-12/h5-9,15-16H,1-4H3
InChIKeyHFUNEZOYJWMICR-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.10
Rot. Bonds5

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

[2-methyl-1-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 50924110) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-methyl-1-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[2-methyl-1-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID50924110
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[2-methyl-1-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCC(C)C(=O)OC(OC(=O)c1cc2occc2[nH]1)C(C)C
InChIInChI=1S/C15H19NO5/c1-8(2)13(17)20-15(9(3)4)21-14(18)11-7-12-10(16-11)5-6-19-12/h5-9,15-16H,1-4H3
InChIKeyHFUNEZOYJWMICR-UHFFFAOYSA-N
XLogP3.10
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.10
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 [2-methyl-1-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [2-methyl-1-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 50924110) is [2-methyl-1-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [2-methyl-1-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [2-methyl-1-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate is CC(C)C(=O)OC(OC(=O)c1cc2occc2[nH]1)C(C)C.
What is the InChIKey of [2-methyl-1-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is HFUNEZOYJWMICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-8(2)13(17)20-15(9(3)4)21-14(18)11-7-12-10(16-11)5-6-19-12/h5-9,15-16H,1-4H3.
What are the key properties of [2-methyl-1-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate?
[2-methyl-1-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 50924110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).