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

C15H19NO5 — CID 66958572

IUPAC[2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCC(COC(=O)c1cc2occc2[nH]1)COC(=O)C(C)C
InChIInChI=1S/C15H19NO5/c1-9(2)14(17)20-7-10(3)8-21-15(18)12-6-13-11(16-12)4-5-19-13/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyDBIWAIHZSPAJNI-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.75
Rot. Bonds6

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

[2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 66958572) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID66958572
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCC(COC(=O)c1cc2occc2[nH]1)COC(=O)C(C)C
InChIInChI=1S/C15H19NO5/c1-9(2)14(17)20-7-10(3)8-21-15(18)12-6-13-11(16-12)4-5-19-13/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyDBIWAIHZSPAJNI-UHFFFAOYSA-N
XLogP2.75
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50923959
acetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen
CID 143939741
ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134140
ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 123865378
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-butanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50924108
cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50923962
pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 70795923
[1-[4-(3-amino-2-oxopropyl)benzoyl]oxy-2-methylpropyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 88977130
[hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 123140497
[hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134130

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 66958572) is [2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate is CC(COC(=O)c1cc2occc2[nH]1)COC(=O)C(C)C.
What is the InChIKey of [2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is DBIWAIHZSPAJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9(2)14(17)20-7-10(3)8-21-15(18)12-6-13-11(16-12)4-5-19-13/h4-6,9-10,16H,7-8H2,1-3H3.
What are the key properties of [2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate?
[2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 66958572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).