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

C10H11NO5 — CID 143939741

IUPACacetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen
SMILESCC(=O)OCOC(=O)c1cc2occc2[nH]1.[H][H]
InChIInChI=1S/C10H9NO5.H2/c1-6(12)15-5-16-10(13)8-4-9-7(11-8)2-3-14-9;/h2-4,11H,5H2,1H3;1H
InChIKeyRZJNXFZVWJODDY-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.68
Rot. Bonds3

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

acetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen (PubChem CID 143939741) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is acetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen.

Molecular Properties

Compound Nameacetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen
PubChem CID143939741
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Nameacetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen
SMILESCC(=O)OCOC(=O)c1cc2occc2[nH]1.[H][H]
InChIInChI=1S/C10H9NO5.H2/c1-6(12)15-5-16-10(13)8-4-9-7(11-8)2-3-14-9;/h2-4,11H,5H2,1H3;1H
InChIKeyRZJNXFZVWJODDY-UHFFFAOYSA-N
XLogP1.68
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.68
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

ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134140
ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 123865378
[2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 66958572
propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50923959
molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 143939670
cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50923962
[hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134130
pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 70795923
1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134017
ethane;2-(2-morpholin-4-ylacetyl)oxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 143939713
1-butanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50924108
[hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 123140497

Frequently Asked Questions

What is the IUPAC name of acetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen?
The IUPAC name of acetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen (CID 143939741) is acetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen.
What is the SMILES notation for acetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen?
The canonical SMILES for acetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen is CC(=O)OCOC(=O)c1cc2occc2[nH]1.[H][H].
What is the InChIKey of acetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen?
The InChIKey is RZJNXFZVWJODDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5.H2/c1-6(12)15-5-16-10(13)8-4-9-7(11-8)2-3-14-9;/h2-4,11H,5H2,1H3;1H.
What are the key properties of acetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen?
acetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen has a molecular weight of 225.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen is sourced from PubChem (CID 143939741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).