4H-furo[3,2-b]pyrrol-2-ylmethyl acetate

C9H9NO3 — CID 66930864

IUPAC4H-furo[3,2-b]pyrrol-2-ylmethyl acetate
SMILESCC(=O)OCc1cc2[nH]ccc2o1
InChIInChI=1S/C9H9NO3/c1-6(11)12-5-7-4-8-9(13-7)2-3-10-8/h2-4,10H,5H2,1H3
InChIKeyBTAPIDVMVPBMDJ-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.82
Rot. Bonds2

About 4H-furo[3,2-b]pyrrol-2-ylmethyl acetate

4H-furo[3,2-b]pyrrol-2-ylmethyl acetate (PubChem CID 66930864) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 4H-furo[3,2-b]pyrrol-2-ylmethyl acetate.

Molecular Properties

Compound Name4H-furo[3,2-b]pyrrol-2-ylmethyl acetate
PubChem CID66930864
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name4H-furo[3,2-b]pyrrol-2-ylmethyl acetate
SMILESCC(=O)OCc1cc2[nH]ccc2o1
InChIInChI=1S/C9H9NO3/c1-6(11)12-5-7-4-8-9(13-7)2-3-10-8/h2-4,10H,5H2,1H3
InChIKeyBTAPIDVMVPBMDJ-UHFFFAOYSA-N
XLogP1.82
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-furo[3,2-b]pyrrol-2-ylmethyl acetate?
The IUPAC name of 4H-furo[3,2-b]pyrrol-2-ylmethyl acetate (CID 66930864) is 4H-furo[3,2-b]pyrrol-2-ylmethyl acetate.
What is the SMILES notation for 4H-furo[3,2-b]pyrrol-2-ylmethyl acetate?
The canonical SMILES for 4H-furo[3,2-b]pyrrol-2-ylmethyl acetate is CC(=O)OCc1cc2[nH]ccc2o1.
What is the InChIKey of 4H-furo[3,2-b]pyrrol-2-ylmethyl acetate?
The InChIKey is BTAPIDVMVPBMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-6(11)12-5-7-4-8-9(13-7)2-3-10-8/h2-4,10H,5H2,1H3.
What are the key properties of 4H-furo[3,2-b]pyrrol-2-ylmethyl acetate?
4H-furo[3,2-b]pyrrol-2-ylmethyl acetate has a molecular weight of 179.17 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-furo[3,2-b]pyrrol-2-ylmethyl acetate is sourced from PubChem (CID 66930864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).