1-(2-methoxyphenyl)pyrrole

C11H11NO — CID 4737067

IUPAC1-(2-methoxyphenyl)pyrrole
SMILESCOc1ccccc1-n1cccc1
InChIInChI=1S/C11H11NO/c1-13-11-7-3-2-6-10(11)12-8-4-5-9-12/h2-9H,1H3
InChIKeyRYGWXDNFNRUJFK-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.49
Rot. Bonds2

About 1-(2-methoxyphenyl)pyrrole

1-(2-methoxyphenyl)pyrrole (PubChem CID 4737067) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)pyrrole.

Molecular Properties

Compound Name1-(2-methoxyphenyl)pyrrole
PubChem CID4737067
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name1-(2-methoxyphenyl)pyrrole
SMILESCOc1ccccc1-n1cccc1
InChIInChI=1S/C11H11NO/c1-13-11-7-3-2-6-10(11)12-8-4-5-9-12/h2-9H,1H3
InChIKeyRYGWXDNFNRUJFK-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 1-(2-methoxyphenyl)pyrrole?
The IUPAC name of 1-(2-methoxyphenyl)pyrrole (CID 4737067) is 1-(2-methoxyphenyl)pyrrole.
What is the SMILES notation for 1-(2-methoxyphenyl)pyrrole?
The canonical SMILES for 1-(2-methoxyphenyl)pyrrole is COc1ccccc1-n1cccc1.
What is the InChIKey of 1-(2-methoxyphenyl)pyrrole?
The InChIKey is RYGWXDNFNRUJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-13-11-7-3-2-6-10(11)12-8-4-5-9-12/h2-9H,1H3.
What are the key properties of 1-(2-methoxyphenyl)pyrrole?
1-(2-methoxyphenyl)pyrrole 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 1-(2-methoxyphenyl)pyrrole is sourced from PubChem (CID 4737067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).