3-(phenoxymethyl)-1H-pyrrole

C11H11NO — CID 141444367

IUPAC3-(phenoxymethyl)-1H-pyrrole
SMILESc1ccc(OCc2cc[nH]c2)cc1
InChIInChI=1S/C11H11NO/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h1-8,12H,9H2
InChIKeyZLRCVKBDIWPBHB-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.59
Rot. Bonds3

About 3-(phenoxymethyl)-1H-pyrrole

3-(phenoxymethyl)-1H-pyrrole (PubChem CID 141444367) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-(phenoxymethyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(phenoxymethyl)-1H-pyrrole
PubChem CID141444367
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name3-(phenoxymethyl)-1H-pyrrole
SMILESc1ccc(OCc2cc[nH]c2)cc1
InChIInChI=1S/C11H11NO/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h1-8,12H,9H2
InChIKeyZLRCVKBDIWPBHB-UHFFFAOYSA-N
XLogP2.59
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(phenoxymethyl)-1H-pyrrole-2-carboxylic acid
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CID 174311801
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Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-1H-pyrrole?
The IUPAC name of 3-(phenoxymethyl)-1H-pyrrole (CID 141444367) is 3-(phenoxymethyl)-1H-pyrrole.
What is the SMILES notation for 3-(phenoxymethyl)-1H-pyrrole?
The canonical SMILES for 3-(phenoxymethyl)-1H-pyrrole is c1ccc(OCc2cc[nH]c2)cc1.
What is the InChIKey of 3-(phenoxymethyl)-1H-pyrrole?
The InChIKey is ZLRCVKBDIWPBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-4-11(5-3-1)13-9-10-6-7-12-8-10/h1-8,12H,9H2.
What are the key properties of 3-(phenoxymethyl)-1H-pyrrole?
3-(phenoxymethyl)-1H-pyrrole has a molecular weight of 173.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-1H-pyrrole is sourced from PubChem (CID 141444367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).