(4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone

C10H13BrN2O2 — CID 43431802

IUPAC(4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C10H13BrN2O2/c1-7-6-15-3-2-13(7)10(14)9-4-8(11)5-12-9/h4-5,7,12H,2-3,6H2,1H3
InChIKeyNYTNHDLTAKJZLH-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.64
Rot. Bonds1

About (4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone

(4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone (PubChem CID 43431802) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is (4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
PubChem CID43431802
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name(4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C10H13BrN2O2/c1-7-6-15-3-2-13(7)10(14)9-4-8(11)5-12-9/h4-5,7,12H,2-3,6H2,1H3
InChIKeyNYTNHDLTAKJZLH-UHFFFAOYSA-N
XLogP1.64
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94145769
(3-bromo-5-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832498
(4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 78862378
(4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832479
(4-bromo-1H-pyrrol-2-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 115634507
(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832539
(5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94334907
(2-bromo-4-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832524
(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832545
(3S)-N-(4-bromo-2,6-difluorophenyl)-3-methylmorpholine-4-carboxamide
CID 99812243
1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide
CID 47268437
1H-indol-5-yl-(3-methylmorpholin-4-yl)methanone
CID 63717142

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of (4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone (CID 43431802) is (4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for (4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)c1cc(Br)c[nH]1.
What is the InChIKey of (4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone?
The InChIKey is NYTNHDLTAKJZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-7-6-15-3-2-13(7)10(14)9-4-8(11)5-12-9/h4-5,7,12H,2-3,6H2,1H3.
What are the key properties of (4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone?
(4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone has a molecular weight of 273.13 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 43431802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).