(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43641682
(4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932964
(3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 104851930
(4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832479
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
4-(4-bromo-1-propylpyrrole-2-carbonyl)thiomorpholine-3-carboxylic acid
CID 82900986
(4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 54877993
(4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63620195
(4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43639912
(4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43640671
1-(4-bromo-1-propylpyrrole-2-carbonyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511967
2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide
CID 60956321

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).