2-(1,3-dioxan-2-yl)-1H-pyrrole

C8H11NO2 — CID 142199810

IUPAC2-(1,3-dioxan-2-yl)-1H-pyrrole
SMILESc1c[nH]c(C2OCCCO2)c1
InChIInChI=1S/C8H11NO2/c1-3-7(9-4-1)8-10-5-2-6-11-8/h1,3-4,8-9H,2,5-6H2
InChIKeyOXFWYOFKBVEBAH-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.45
Rot. Bonds1

About 2-(1,3-dioxan-2-yl)-1H-pyrrole

2-(1,3-dioxan-2-yl)-1H-pyrrole (PubChem CID 142199810) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(1,3-dioxan-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name2-(1,3-dioxan-2-yl)-1H-pyrrole
PubChem CID142199810
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(1,3-dioxan-2-yl)-1H-pyrrole
SMILESc1c[nH]c(C2OCCCO2)c1
InChIInChI=1S/C8H11NO2/c1-3-7(9-4-1)8-10-5-2-6-11-8/h1,3-4,8-9H,2,5-6H2
InChIKeyOXFWYOFKBVEBAH-UHFFFAOYSA-N
XLogP1.45
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-2-yl)-1H-pyrrole?
The IUPAC name of 2-(1,3-dioxan-2-yl)-1H-pyrrole (CID 142199810) is 2-(1,3-dioxan-2-yl)-1H-pyrrole.
What is the SMILES notation for 2-(1,3-dioxan-2-yl)-1H-pyrrole?
The canonical SMILES for 2-(1,3-dioxan-2-yl)-1H-pyrrole is c1c[nH]c(C2OCCCO2)c1.
What is the InChIKey of 2-(1,3-dioxan-2-yl)-1H-pyrrole?
The InChIKey is OXFWYOFKBVEBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-7(9-4-1)8-10-5-2-6-11-8/h1,3-4,8-9H,2,5-6H2.
What are the key properties of 2-(1,3-dioxan-2-yl)-1H-pyrrole?
2-(1,3-dioxan-2-yl)-1H-pyrrole has a molecular weight of 153.18 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-2-yl)-1H-pyrrole is sourced from PubChem (CID 142199810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).