(2,5-dihydroxypyrrol-1-yl) 2-methylcyclopropene-1-carboxylate

C9H9NO4 — CID 123633272

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-methylcyclopropene-1-carboxylate
SMILESCC1=C(C(=O)On2c(O)ccc2O)C1
InChIInChI=1S/C9H9NO4/c1-5-4-6(5)9(13)14-10-7(11)2-3-8(10)12/h2-3,11-12H,4H2,1H3
InChIKeyZSQQRQWTPOSOKN-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.57
Rot. Bonds2

About (2,5-dihydroxypyrrol-1-yl) 2-methylcyclopropene-1-carboxylate

(2,5-dihydroxypyrrol-1-yl) 2-methylcyclopropene-1-carboxylate (PubChem CID 123633272) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-methylcyclopropene-1-carboxylate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-methylcyclopropene-1-carboxylate
PubChem CID123633272
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-methylcyclopropene-1-carboxylate
SMILESCC1=C(C(=O)On2c(O)ccc2O)C1
InChIInChI=1S/C9H9NO4/c1-5-4-6(5)9(13)14-10-7(11)2-3-8(10)12/h2-3,11-12H,4H2,1H3
InChIKeyZSQQRQWTPOSOKN-UHFFFAOYSA-N
XLogP0.57
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-methylcyclopropene-1-carboxylate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-methylcyclopropene-1-carboxylate (CID 123633272) is (2,5-dihydroxypyrrol-1-yl) 2-methylcyclopropene-1-carboxylate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-methylcyclopropene-1-carboxylate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-methylcyclopropene-1-carboxylate is CC1=C(C(=O)On2c(O)ccc2O)C1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-methylcyclopropene-1-carboxylate?
The InChIKey is ZSQQRQWTPOSOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-5-4-6(5)9(13)14-10-7(11)2-3-8(10)12/h2-3,11-12H,4H2,1H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-methylcyclopropene-1-carboxylate?
(2,5-dihydroxypyrrol-1-yl) 2-methylcyclopropene-1-carboxylate has a molecular weight of 195.17 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-methylcyclopropene-1-carboxylate is sourced from PubChem (CID 123633272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).