[4-(2,5-dimethylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone

C17H20N2O2 — CID 1089297

IUPAC[4-(2,5-dimethylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)n1-c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H20N2O2/c1-13-3-4-14(2)19(13)16-7-5-15(6-8-16)17(20)18-9-11-21-12-10-18/h3-8H,9-12H2,1-2H3
InChIKeyHBROJAKNKRJUDJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.57
Rot. Bonds2

About [4-(2,5-dimethylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone

[4-(2,5-dimethylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 1089297) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [4-(2,5-dimethylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2,5-dimethylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID1089297
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[4-(2,5-dimethylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)n1-c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H20N2O2/c1-13-3-4-14(2)19(13)16-7-5-15(6-8-16)17(20)18-9-11-21-12-10-18/h3-8H,9-12H2,1-2H3
InChIKeyHBROJAKNKRJUDJ-UHFFFAOYSA-N
XLogP2.57
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2,5-dimethylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone (CID 1089297) is [4-(2,5-dimethylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2,5-dimethylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2,5-dimethylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone is Cc1ccc(C)n1-c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of [4-(2,5-dimethylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is HBROJAKNKRJUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-3-4-14(2)19(13)16-7-5-15(6-8-16)17(20)18-9-11-21-12-10-18/h3-8H,9-12H2,1-2H3.
What are the key properties of [4-(2,5-dimethylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone?
[4-(2,5-dimethylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 284.36 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1089297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).