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

C10H11NO3 — CID 50923959

IUPACpropan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCC(C)OC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C10H11NO3/c1-6(2)14-10(12)8-5-9-7(11-8)3-4-13-9/h3-6,11H,1-2H3
InChIKeyBYAKKSQRFVKMEB-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.33
Rot. Bonds2

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

propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 50923959) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID50923959
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namepropan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCC(C)OC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C10H11NO3/c1-6(2)14-10(12)8-5-9-7(11-8)3-4-13-9/h3-6,11H,1-2H3
InChIKeyBYAKKSQRFVKMEB-UHFFFAOYSA-N
XLogP2.33
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 50923959) is propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate is CC(C)OC(=O)c1cc2occc2[nH]1.
What is the InChIKey of propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is BYAKKSQRFVKMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6(2)14-10(12)8-5-9-7(11-8)3-4-13-9/h3-6,11H,1-2H3.
What are the key properties of propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate?
propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 193.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 50923959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).