4-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]morpholine

C15H19N3O — CID 2941060

IUPAC4-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]morpholine
SMILESCc1ccc(C)n1-c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C15H19N3O/c1-12-3-4-13(2)18(12)14-5-6-15(16-11-14)17-7-9-19-10-8-17/h3-6,11H,7-10H2,1-2H3
InChIKeyCRXKFJABNLINMM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.33
Rot. Bonds2

About 4-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]morpholine

4-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]morpholine (PubChem CID 2941060) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]morpholine
PubChem CID2941060
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]morpholine
SMILESCc1ccc(C)n1-c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C15H19N3O/c1-12-3-4-13(2)18(12)14-5-6-15(16-11-14)17-7-9-19-10-8-17/h3-6,11H,7-10H2,1-2H3
InChIKeyCRXKFJABNLINMM-UHFFFAOYSA-N
XLogP2.33
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]morpholine (CID 2941060) is 4-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]morpholine is Cc1ccc(C)n1-c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 4-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]morpholine?
The InChIKey is CRXKFJABNLINMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-3-4-13(2)18(12)14-5-6-15(16-11-14)17-7-9-19-10-8-17/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 4-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]morpholine?
4-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]morpholine has a molecular weight of 257.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 2941060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).