(4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone

C12H17BrN2O2 — CID 43640671

IUPAC(4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCCn1cc(Br)cc1C(=O)N1CCOC(C)C1
InChIInChI=1S/C12H17BrN2O2/c1-3-14-8-10(13)6-11(14)12(16)15-4-5-17-9(2)7-15/h6,8-9H,3-5,7H2,1-2H3
InChIKeyYNSMLRVIIVQMGW-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.13
Rot. Bonds2

About (4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone

(4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 43640671) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
PubChem CID43640671
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name(4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCCn1cc(Br)cc1C(=O)N1CCOC(C)C1
InChIInChI=1S/C12H17BrN2O2/c1-3-14-8-10(13)6-11(14)12(16)15-4-5-17-9(2)7-15/h6,8-9H,3-5,7H2,1-2H3
InChIKeyYNSMLRVIIVQMGW-UHFFFAOYSA-N
XLogP2.13
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-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-amino-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43642024
2-[(2S)-4-(4-bromo-1-ethylpyrrole-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515313
(3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
CID 103575979
(4-bromo-1-ethylpyrrol-2-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 115661665
(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
CID 43639622
(4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832479
(4-bromo-1-ethylpyrrol-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43641435
1-(4-bromo-1-ethylpyrrole-2-carbonyl)piperidine-4-carboxylic acid
CID 43639541
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62973851
(4-bromo-1-propylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932964
(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 71683349
(4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63620195

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone (CID 43640671) is (4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone is CCn1cc(Br)cc1C(=O)N1CCOC(C)C1.
What is the InChIKey of (4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is YNSMLRVIIVQMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-3-14-8-10(13)6-11(14)12(16)15-4-5-17-9(2)7-15/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of (4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone?
(4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 301.18 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 43640671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).