5-methoxy-2-pyrrol-1-ylaniline

C11H12N2O — CID 2764415

IUPAC5-methoxy-2-pyrrol-1-ylaniline
SMILESCOc1ccc(-n2cccc2)c(N)c1
InChIInChI=1S/C11H12N2O/c1-14-9-4-5-11(10(12)8-9)13-6-2-3-7-13/h2-8H,12H2,1H3
InChIKeyLKSVZBCORDEARF-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.07
Rot. Bonds2

About 5-methoxy-2-pyrrol-1-ylaniline

5-methoxy-2-pyrrol-1-ylaniline (PubChem CID 2764415) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-methoxy-2-pyrrol-1-ylaniline.

Molecular Properties

Compound Name5-methoxy-2-pyrrol-1-ylaniline
PubChem CID2764415
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name5-methoxy-2-pyrrol-1-ylaniline
SMILESCOc1ccc(-n2cccc2)c(N)c1
InChIInChI=1S/C11H12N2O/c1-14-9-4-5-11(10(12)8-9)13-6-2-3-7-13/h2-8H,12H2,1H3
InChIKeyLKSVZBCORDEARF-UHFFFAOYSA-N
XLogP2.07
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyrrol-1-ylaniline?
The IUPAC name of 5-methoxy-2-pyrrol-1-ylaniline (CID 2764415) is 5-methoxy-2-pyrrol-1-ylaniline.
What is the SMILES notation for 5-methoxy-2-pyrrol-1-ylaniline?
The canonical SMILES for 5-methoxy-2-pyrrol-1-ylaniline is COc1ccc(-n2cccc2)c(N)c1.
What is the InChIKey of 5-methoxy-2-pyrrol-1-ylaniline?
The InChIKey is LKSVZBCORDEARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-14-9-4-5-11(10(12)8-9)13-6-2-3-7-13/h2-8H,12H2,1H3.
What are the key properties of 5-methoxy-2-pyrrol-1-ylaniline?
5-methoxy-2-pyrrol-1-ylaniline has a molecular weight of 188.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyrrol-1-ylaniline is sourced from PubChem (CID 2764415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).