1-phenylmethoxy-2,5-dihydropyrrole

C11H13NO — CID 102529031

IUPAC1-phenylmethoxy-2,5-dihydropyrrole
SMILESC1=CCN(OCc2ccccc2)C1
InChIInChI=1S/C11H13NO/c1-2-6-11(7-3-1)10-13-12-8-4-5-9-12/h1-7H,8-10H2
InChIKeyATQSKDLACPVSLM-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.99
Rot. Bonds3

About 1-phenylmethoxy-2,5-dihydropyrrole

1-phenylmethoxy-2,5-dihydropyrrole (PubChem CID 102529031) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-phenylmethoxy-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-phenylmethoxy-2,5-dihydropyrrole
PubChem CID102529031
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-phenylmethoxy-2,5-dihydropyrrole
SMILESC1=CCN(OCc2ccccc2)C1
InChIInChI=1S/C11H13NO/c1-2-6-11(7-3-1)10-13-12-8-4-5-9-12/h1-7H,8-10H2
InChIKeyATQSKDLACPVSLM-UHFFFAOYSA-N
XLogP1.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
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 1-phenylmethoxy-2,5-dihydropyrrole?
The IUPAC name of 1-phenylmethoxy-2,5-dihydropyrrole (CID 102529031) is 1-phenylmethoxy-2,5-dihydropyrrole.
What is the SMILES notation for 1-phenylmethoxy-2,5-dihydropyrrole?
The canonical SMILES for 1-phenylmethoxy-2,5-dihydropyrrole is C1=CCN(OCc2ccccc2)C1.
What is the InChIKey of 1-phenylmethoxy-2,5-dihydropyrrole?
The InChIKey is ATQSKDLACPVSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-6-11(7-3-1)10-13-12-8-4-5-9-12/h1-7H,8-10H2.
What are the key properties of 1-phenylmethoxy-2,5-dihydropyrrole?
1-phenylmethoxy-2,5-dihydropyrrole has a molecular weight of 175.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-2,5-dihydropyrrole is sourced from PubChem (CID 102529031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).