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

C14H21BrN2O2 — CID 43641682

IUPAC(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)cn2C(C)C)C(C)CO1
InChIInChI=1S/C14H21BrN2O2/c1-9(2)16-7-12(15)5-13(16)14(18)17-6-11(4)19-8-10(17)3/h5,7,9-11H,6,8H2,1-4H3
InChIKeyHOLVWVOSASVCAB-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.08
Rot. Bonds2

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

(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 43641682) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID43641682
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)cn2C(C)C)C(C)CO1
InChIInChI=1S/C14H21BrN2O2/c1-9(2)16-7-12(15)5-13(16)14(18)17-6-11(4)19-8-10(17)3/h5,7,9-11H,6,8H2,1-4H3
InChIKeyHOLVWVOSASVCAB-UHFFFAOYSA-N
XLogP3.08
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43643737
(4-bromo-1-propylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43641681
(4-chloro-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81219803
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 55061421
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62973851
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593414
(3-bromo-5-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 104851930
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120572511
(2S,3S)-1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122115577
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 128988353
(5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43424620

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 43641682) is (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(Br)cn2C(C)C)C(C)CO1.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is HOLVWVOSASVCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-9(2)16-7-12(15)5-13(16)14(18)17-6-11(4)19-8-10(17)3/h5,7,9-11H,6,8H2,1-4H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 329.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 43641682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).