2-(1-propanoyloxyethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid

C12H13NO5 — CID 68573442

IUPAC2-(1-propanoyloxyethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESCCC(=O)OC(C)c1cc2[nH]c(C(=O)O)cc2o1
InChIInChI=1S/C12H13NO5/c1-3-11(14)17-6(2)9-4-7-10(18-9)5-8(13-7)12(15)16/h4-6,13H,3H2,1-2H3,(H,15,16)
InChIKeyBEFXYBYSXZQSJW-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.47
Rot. Bonds4

About 2-(1-propanoyloxyethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid

2-(1-propanoyloxyethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 68573442) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-(1-propanoyloxyethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-propanoyloxyethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
PubChem CID68573442
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name2-(1-propanoyloxyethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESCCC(=O)OC(C)c1cc2[nH]c(C(=O)O)cc2o1
InChIInChI=1S/C12H13NO5/c1-3-11(14)17-6(2)9-4-7-10(18-9)5-8(13-7)12(15)16/h4-6,13H,3H2,1-2H3,(H,15,16)
InChIKeyBEFXYBYSXZQSJW-UHFFFAOYSA-N
XLogP2.47
TPSA92.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
ethane;propan-2-yl 2-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 143939709
(2-bromo-4H-furo[3,2-b]pyrrol-5-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 154868674
ethanol;1-phenylethyl propanoate
CID 175279617
ethyl 2-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 70848637
1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethyl propanoate
CID 160601981
1-(2-bromophenyl)ethyl propanoate
CID 174661782
4,6-diethoxy-1H-indole-2-carboxylic acid
CID 7141872
1-phenylethyl butanoate;1-phenylethyl propanoate
CID 174922545
3-propanoyloxybutan-2-yl propanoate
CID 14494224
6-ethoxy-4-propan-2-yloxy-1H-indole-2-carboxylic acid;N-methylmethanamine
CID 175135260

Frequently Asked Questions

What is the IUPAC name of 2-(1-propanoyloxyethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 2-(1-propanoyloxyethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid (CID 68573442) is 2-(1-propanoyloxyethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 2-(1-propanoyloxyethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 2-(1-propanoyloxyethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid is CCC(=O)OC(C)c1cc2[nH]c(C(=O)O)cc2o1.
What is the InChIKey of 2-(1-propanoyloxyethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is BEFXYBYSXZQSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-3-11(14)17-6(2)9-4-7-10(18-9)5-8(13-7)12(15)16/h4-6,13H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-propanoyloxyethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
2-(1-propanoyloxyethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propanoyloxyethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 68573442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).