(4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone

C12H17BrN2O2 — CID 106832479

IUPAC(4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESCCn1cc(Br)cc1C(=O)N1CCOC[C@H]1C
InChIInChI=1S/C12H17BrN2O2/c1-3-14-7-10(13)6-11(14)12(16)15-4-5-17-8-9(15)2/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1
InChIKeyNKWRSLVTIOXLAS-SECBINFHSA-N
MW301.18 g/mol
LogP2.13
Rot. Bonds2

About (4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone

(4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone (PubChem CID 106832479) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
PubChem CID106832479
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name(4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESCCn1cc(Br)cc1C(=O)N1CCOC[C@H]1C
InChIInChI=1S/C12H17BrN2O2/c1-3-14-7-10(13)6-11(14)12(16)15-4-5-17-8-9(15)2/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1
InChIKeyNKWRSLVTIOXLAS-SECBINFHSA-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)-[(3R)-3-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

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of (4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone (CID 106832479) is (4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone is CCn1cc(Br)cc1C(=O)N1CCOC[C@H]1C.
What is the InChIKey of (4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The InChIKey is NKWRSLVTIOXLAS-SECBINFHSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-3-14-7-10(13)6-11(14)12(16)15-4-5-17-8-9(15)2/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone?
(4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-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)-[(3R)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 106832479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).