2-propoxy-2,5-dihydro-1H-pyrrole

C7H13NO — CID 67898095

IUPAC2-propoxy-2,5-dihydro-1H-pyrrole
SMILESCCCOC1C=CCN1
InChIInChI=1S/C7H13NO/c1-2-6-9-7-4-3-5-8-7/h3-4,7-8H,2,5-6H2,1H3
InChIKeyDVLHDZUFLXWTCF-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.90
Rot. Bonds3

About 2-propoxy-2,5-dihydro-1H-pyrrole

2-propoxy-2,5-dihydro-1H-pyrrole (PubChem CID 67898095) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-propoxy-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-propoxy-2,5-dihydro-1H-pyrrole
PubChem CID67898095
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-propoxy-2,5-dihydro-1H-pyrrole
SMILESCCCOC1C=CCN1
InChIInChI=1S/C7H13NO/c1-2-6-9-7-4-3-5-8-7/h3-4,7-8H,2,5-6H2,1H3
InChIKeyDVLHDZUFLXWTCF-UHFFFAOYSA-N
XLogP0.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.90
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-propoxy-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2-propoxy-2,5-dihydro-1H-pyrrole (CID 67898095) is 2-propoxy-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2-propoxy-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2-propoxy-2,5-dihydro-1H-pyrrole is CCCOC1C=CCN1.
What is the InChIKey of 2-propoxy-2,5-dihydro-1H-pyrrole?
The InChIKey is DVLHDZUFLXWTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-6-9-7-4-3-5-8-7/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of 2-propoxy-2,5-dihydro-1H-pyrrole?
2-propoxy-2,5-dihydro-1H-pyrrole has a molecular weight of 127.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 67898095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).