(4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone

C14H21BrN2O2 — CID 43641681

IUPAC(4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCCCn1cc(Br)cc1C(=O)N1CC(C)OCC1C
InChIInChI=1S/C14H21BrN2O2/c1-4-5-16-8-12(15)6-13(16)14(18)17-7-11(3)19-9-10(17)2/h6,8,10-11H,4-5,7,9H2,1-3H3
InChIKeyGYSZMBDQNCGJOJ-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.91
Rot. Bonds3

About (4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone

(4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 43641681) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is (4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID43641681
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name(4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCCCn1cc(Br)cc1C(=O)N1CC(C)OCC1C
InChIInChI=1S/C14H21BrN2O2/c1-4-5-16-8-12(15)6-13(16)14(18)17-7-11(3)19-9-10(17)2/h6,8,10-11H,4-5,7,9H2,1-3H3
InChIKeyGYSZMBDQNCGJOJ-UHFFFAOYSA-N
XLogP2.91
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 43641681) is (4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone is CCCn1cc(Br)cc1C(=O)N1CC(C)OCC1C.
What is the InChIKey of (4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is GYSZMBDQNCGJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-4-5-16-8-12(15)6-13(16)14(18)17-7-11(3)19-9-10(17)2/h6,8,10-11H,4-5,7,9H2,1-3H3.
What are the key properties of (4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
(4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 329.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 43641681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).