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

C12H15NO5 — CID 143939670

IUPACmolecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCC(=O)OC(C)OC(=O)c1cc2occc2[nH]1.[H][H]
InChIInChI=1S/C12H13NO5.H2/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;1H
InChIKeyGQRGVRAIYSNMJX-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.46
Rot. Bonds4

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

molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 143939670) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemolecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID143939670
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Namemolecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCC(=O)OC(C)OC(=O)c1cc2occc2[nH]1.[H][H]
InChIInChI=1S/C12H13NO5.H2/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;1H
InChIKeyGQRGVRAIYSNMJX-UHFFFAOYSA-N
XLogP2.46
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134017
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
acetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen
CID 143939741
[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
ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134140
ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 123865378
[hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134130
[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 molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 143939670) is molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is CCC(=O)OC(C)OC(=O)c1cc2occc2[nH]1.[H][H].
What is the InChIKey of molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is GQRGVRAIYSNMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5.H2/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;1H.
What are the key properties of molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 253.25 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 143939670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).