2-propyl-5H-[1,3]dioxolo[4,5-c]pyrrole

C8H11NO2 — CID 141180411

IUPAC2-propyl-5H-[1,3]dioxolo[4,5-c]pyrrole
SMILESCCCC1Oc2c[nH]cc2O1
InChIInChI=1S/C8H11NO2/c1-2-3-8-10-6-4-9-5-7(6)11-8/h4-5,8-9H,2-3H2,1H3
InChIKeyXQEJDDRKGDMYPM-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.91
Rot. Bonds2

About 2-propyl-5H-[1,3]dioxolo[4,5-c]pyrrole

2-propyl-5H-[1,3]dioxolo[4,5-c]pyrrole (PubChem CID 141180411) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-propyl-5H-[1,3]dioxolo[4,5-c]pyrrole.

Molecular Properties

Compound Name2-propyl-5H-[1,3]dioxolo[4,5-c]pyrrole
PubChem CID141180411
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-propyl-5H-[1,3]dioxolo[4,5-c]pyrrole
SMILESCCCC1Oc2c[nH]cc2O1
InChIInChI=1S/C8H11NO2/c1-2-3-8-10-6-4-9-5-7(6)11-8/h4-5,8-9H,2-3H2,1H3
InChIKeyXQEJDDRKGDMYPM-UHFFFAOYSA-N
XLogP1.91
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5H-[1,3]dioxolo[4,5-c]pyrrole?
The IUPAC name of 2-propyl-5H-[1,3]dioxolo[4,5-c]pyrrole (CID 141180411) is 2-propyl-5H-[1,3]dioxolo[4,5-c]pyrrole.
What is the SMILES notation for 2-propyl-5H-[1,3]dioxolo[4,5-c]pyrrole?
The canonical SMILES for 2-propyl-5H-[1,3]dioxolo[4,5-c]pyrrole is CCCC1Oc2c[nH]cc2O1.
What is the InChIKey of 2-propyl-5H-[1,3]dioxolo[4,5-c]pyrrole?
The InChIKey is XQEJDDRKGDMYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-3-8-10-6-4-9-5-7(6)11-8/h4-5,8-9H,2-3H2,1H3.
What are the key properties of 2-propyl-5H-[1,3]dioxolo[4,5-c]pyrrole?
2-propyl-5H-[1,3]dioxolo[4,5-c]pyrrole has a molecular weight of 153.18 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5H-[1,3]dioxolo[4,5-c]pyrrole is sourced from PubChem (CID 141180411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).