[hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate

C11H14N2O4 — CID 123140497

IUPAC[hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCCNC(O)OC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C11H14N2O4/c1-2-4-12-11(15)17-10(14)8-6-9-7(13-8)3-5-16-9/h3,5-6,11-13,15H,2,4H2,1H3
InChIKeyXOCHBUBNQFONNE-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.19
Rot. Bonds5

About [hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate

[hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 123140497) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID123140497
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCCNC(O)OC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C11H14N2O4/c1-2-4-12-11(15)17-10(14)8-6-9-7(13-8)3-5-16-9/h3,5-6,11-13,15H,2,4H2,1H3
InChIKeyXOCHBUBNQFONNE-UHFFFAOYSA-N
XLogP1.19
TPSA87.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50923959
1-butanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50924108
1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134017
molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 143939670
1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58133893
ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134140
[hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134130
[2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 66958572
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
cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50923962
(4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 175517065

Frequently Asked Questions

What is the IUPAC name of [hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 123140497) is [hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate is CCCNC(O)OC(=O)c1cc2occc2[nH]1.
What is the InChIKey of [hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is XOCHBUBNQFONNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-4-12-11(15)17-10(14)8-6-9-7(13-8)3-5-16-9/h3,5-6,11-13,15H,2,4H2,1H3.
What are the key properties of [hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate?
[hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 238.24 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 123140497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).