2-(4H-pyran-2-yl)-2,5-dihydro-1H-pyrrole

C9H11NO — CID 138637820

IUPAC2-(4H-pyran-2-yl)-2,5-dihydro-1H-pyrrole
SMILESC1=COC(C2C=CCN2)=CC1
InChIInChI=1S/C9H11NO/c1-2-7-11-9(5-1)8-4-3-6-10-8/h2-5,7-8,10H,1,6H2
InChIKeyIVCCXLYYBDANQM-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.33
Rot. Bonds1

About 2-(4H-pyran-2-yl)-2,5-dihydro-1H-pyrrole

2-(4H-pyran-2-yl)-2,5-dihydro-1H-pyrrole (PubChem CID 138637820) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-(4H-pyran-2-yl)-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-(4H-pyran-2-yl)-2,5-dihydro-1H-pyrrole
PubChem CID138637820
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-(4H-pyran-2-yl)-2,5-dihydro-1H-pyrrole
SMILESC1=COC(C2C=CCN2)=CC1
InChIInChI=1S/C9H11NO/c1-2-7-11-9(5-1)8-4-3-6-10-8/h2-5,7-8,10H,1,6H2
InChIKeyIVCCXLYYBDANQM-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-pyran-2-yl)-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2-(4H-pyran-2-yl)-2,5-dihydro-1H-pyrrole (CID 138637820) is 2-(4H-pyran-2-yl)-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2-(4H-pyran-2-yl)-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2-(4H-pyran-2-yl)-2,5-dihydro-1H-pyrrole is C1=COC(C2C=CCN2)=CC1.
What is the InChIKey of 2-(4H-pyran-2-yl)-2,5-dihydro-1H-pyrrole?
The InChIKey is IVCCXLYYBDANQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-7-11-9(5-1)8-4-3-6-10-8/h2-5,7-8,10H,1,6H2.
What are the key properties of 2-(4H-pyran-2-yl)-2,5-dihydro-1H-pyrrole?
2-(4H-pyran-2-yl)-2,5-dihydro-1H-pyrrole has a molecular weight of 149.19 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-pyran-2-yl)-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 138637820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).