(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

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Related Compounds

(3-bromo-5-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832498
(4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43640671
(4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43641681
(4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 43431802
1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide
CID 43641316
4-(4-bromo-1-ethylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062932
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride
CID 119631149
(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
CID 43639622
(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
(3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
CID 103575979
(4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 47174397

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).