(4-methoxyphenyl)-(1H-pyrrol-2-yl)methanone

C12H11NO2 — CID 3008377

IUPAC(4-methoxyphenyl)-(1H-pyrrol-2-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C12H11NO2/c1-15-10-6-4-9(5-7-10)12(14)11-3-2-8-13-11/h2-8,13H,1H3
InChIKeyUZKMDDKNQVOMEC-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.25
Rot. Bonds3

About (4-methoxyphenyl)-(1H-pyrrol-2-yl)methanone

(4-methoxyphenyl)-(1H-pyrrol-2-yl)methanone (PubChem CID 3008377) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is (4-methoxyphenyl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(1H-pyrrol-2-yl)methanone
PubChem CID3008377
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name(4-methoxyphenyl)-(1H-pyrrol-2-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C12H11NO2/c1-15-10-6-4-9(5-7-10)12(14)11-3-2-8-13-11/h2-8,13H,1H3
InChIKeyUZKMDDKNQVOMEC-UHFFFAOYSA-N
XLogP2.25
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(1H-pyrrol-2-yl)methanone (CID 3008377) is (4-methoxyphenyl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(1H-pyrrol-2-yl)methanone is COc1ccc(C(=O)c2ccc[nH]2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is UZKMDDKNQVOMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-15-10-6-4-9(5-7-10)12(14)11-3-2-8-13-11/h2-8,13H,1H3.
What are the key properties of (4-methoxyphenyl)-(1H-pyrrol-2-yl)methanone?
(4-methoxyphenyl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 201.22 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 3008377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).