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

C12H13NO5 — CID 58134017

IUPAC1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCC(=O)OC(C)OC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C12H13NO5/c1-3-11(14)17-7(2)18-12(15)9-6-10-8(13-9)4-5-16-10/h4-7,13H,3H2,1-2H3
InChIKeyVXWGOUIDOGJLRF-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.22
Rot. Bonds4

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

1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 58134017) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID58134017
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCC(=O)OC(C)OC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C12H13NO5/c1-3-11(14)17-7(2)18-12(15)9-6-10-8(13-9)4-5-16-10/h4-7,13H,3H2,1-2H3
InChIKeyVXWGOUIDOGJLRF-UHFFFAOYSA-N
XLogP2.22
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.22
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

molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 143939670
1-butanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50924108
propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50923959
[hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 123140497
1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58133893
[2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 66958572
1-pyrazol-1-ylpropyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58133877
ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 123865378
ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134140
[hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134130
acetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen
CID 143939741
[1-[4-(3-amino-2-oxopropyl)benzoyl]oxy-2-methylpropyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 88977130

Frequently Asked Questions

What is the IUPAC name of 1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of 1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 58134017) is 1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for 1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for 1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is CCC(=O)OC(C)OC(=O)c1cc2occc2[nH]1.
What is the InChIKey of 1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is VXWGOUIDOGJLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-3-11(14)17-7(2)18-12(15)9-6-10-8(13-9)4-5-16-10/h4-7,13H,3H2,1-2H3.
What are the key properties of 1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 251.24 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 58134017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).