3-methoxy-1-phenylpyrrole

C11H11NO — CID 5324681

IUPAC3-methoxy-1-phenylpyrrole
SMILESCOc1ccn(-c2ccccc2)c1
InChIInChI=1S/C11H11NO/c1-13-11-7-8-12(9-11)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyWEGHHCROFMNCRC-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.49
Rot. Bonds2

About 3-methoxy-1-phenylpyrrole

3-methoxy-1-phenylpyrrole (PubChem CID 5324681) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-methoxy-1-phenylpyrrole.

Molecular Properties

Compound Name3-methoxy-1-phenylpyrrole
PubChem CID5324681
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name3-methoxy-1-phenylpyrrole
SMILESCOc1ccn(-c2ccccc2)c1
InChIInChI=1S/C11H11NO/c1-13-11-7-8-12(9-11)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyWEGHHCROFMNCRC-UHFFFAOYSA-N
XLogP2.49
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-phenylpyrrole?
The IUPAC name of 3-methoxy-1-phenylpyrrole (CID 5324681) is 3-methoxy-1-phenylpyrrole.
What is the SMILES notation for 3-methoxy-1-phenylpyrrole?
The canonical SMILES for 3-methoxy-1-phenylpyrrole is COc1ccn(-c2ccccc2)c1.
What is the InChIKey of 3-methoxy-1-phenylpyrrole?
The InChIKey is WEGHHCROFMNCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-13-11-7-8-12(9-11)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 3-methoxy-1-phenylpyrrole?
3-methoxy-1-phenylpyrrole has a molecular weight of 173.21 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-phenylpyrrole is sourced from PubChem (CID 5324681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).