5-prop-1-en-2-yloxy-3,4-dihydro-2H-pyrrole

C7H11NO — CID 169100344

IUPAC5-prop-1-en-2-yloxy-3,4-dihydro-2H-pyrrole
SMILESC=C(C)OC1=NCCC1
InChIInChI=1S/C7H11NO/c1-6(2)9-7-4-3-5-8-7/h1,3-5H2,2H3
InChIKeyPQGJEUGETXBPGE-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.73
Rot. Bonds1

About 5-prop-1-en-2-yloxy-3,4-dihydro-2H-pyrrole

5-prop-1-en-2-yloxy-3,4-dihydro-2H-pyrrole (PubChem CID 169100344) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-prop-1-en-2-yloxy-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-prop-1-en-2-yloxy-3,4-dihydro-2H-pyrrole
PubChem CID169100344
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5-prop-1-en-2-yloxy-3,4-dihydro-2H-pyrrole
SMILESC=C(C)OC1=NCCC1
InChIInChI=1S/C7H11NO/c1-6(2)9-7-4-3-5-8-7/h1,3-5H2,2H3
InChIKeyPQGJEUGETXBPGE-UHFFFAOYSA-N
XLogP1.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-prop-1-en-2-yloxy-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-prop-1-en-2-yloxy-3,4-dihydro-2H-pyrrole (CID 169100344) is 5-prop-1-en-2-yloxy-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-prop-1-en-2-yloxy-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-prop-1-en-2-yloxy-3,4-dihydro-2H-pyrrole is C=C(C)OC1=NCCC1.
What is the InChIKey of 5-prop-1-en-2-yloxy-3,4-dihydro-2H-pyrrole?
The InChIKey is PQGJEUGETXBPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6(2)9-7-4-3-5-8-7/h1,3-5H2,2H3.
What are the key properties of 5-prop-1-en-2-yloxy-3,4-dihydro-2H-pyrrole?
5-prop-1-en-2-yloxy-3,4-dihydro-2H-pyrrole has a molecular weight of 125.17 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-yloxy-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 169100344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).