2-(oxan-2-yl)-1H-pyrrole

C9H13NO — CID 70382280

IUPAC2-(oxan-2-yl)-1H-pyrrole
SMILESc1c[nH]c(C2CCCCO2)c1
InChIInChI=1S/C9H13NO/c1-2-7-11-9(5-1)8-4-3-6-10-8/h3-4,6,9-10H,1-2,5,7H2
InChIKeyIGOOZOBBOKTGKY-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.26
Rot. Bonds1

About 2-(oxan-2-yl)-1H-pyrrole

2-(oxan-2-yl)-1H-pyrrole (PubChem CID 70382280) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(oxan-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name2-(oxan-2-yl)-1H-pyrrole
PubChem CID70382280
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-(oxan-2-yl)-1H-pyrrole
SMILESc1c[nH]c(C2CCCCO2)c1
InChIInChI=1S/C9H13NO/c1-2-7-11-9(5-1)8-4-3-6-10-8/h3-4,6,9-10H,1-2,5,7H2
InChIKeyIGOOZOBBOKTGKY-UHFFFAOYSA-N
XLogP2.26
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-1H-pyrrole?
The IUPAC name of 2-(oxan-2-yl)-1H-pyrrole (CID 70382280) is 2-(oxan-2-yl)-1H-pyrrole.
What is the SMILES notation for 2-(oxan-2-yl)-1H-pyrrole?
The canonical SMILES for 2-(oxan-2-yl)-1H-pyrrole is c1c[nH]c(C2CCCCO2)c1.
What is the InChIKey of 2-(oxan-2-yl)-1H-pyrrole?
The InChIKey is IGOOZOBBOKTGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-7-11-9(5-1)8-4-3-6-10-8/h3-4,6,9-10H,1-2,5,7H2.
What are the key properties of 2-(oxan-2-yl)-1H-pyrrole?
2-(oxan-2-yl)-1H-pyrrole has a molecular weight of 151.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-1H-pyrrole is sourced from PubChem (CID 70382280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).