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

C9H9NO3 — CID 1444679

IUPACmethyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(C)cc2[nH]1
InChIInChI=1S/C9H9NO3/c1-5-3-6-8(13-5)4-7(10-6)9(11)12-2/h3-4,10H,1-2H3
InChIKeyNJMHLPYIHMAHRE-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.86
Rot. Bonds1

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

methyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 1444679) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is methyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID1444679
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Namemethyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(C)cc2[nH]1
InChIInChI=1S/C9H9NO3/c1-5-3-6-8(13-5)4-7(10-6)9(11)12-2/h3-4,10H,1-2H3
InChIKeyNJMHLPYIHMAHRE-UHFFFAOYSA-N
XLogP1.86
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate (CID 1444679) is methyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2oc(C)cc2[nH]1.
What is the InChIKey of methyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is NJMHLPYIHMAHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-5-3-6-8(13-5)4-7(10-6)9(11)12-2/h3-4,10H,1-2H3.
What are the key properties of methyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate?
methyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 179.17 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1444679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).