4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide

C13H16BrN3O3 — CID 83095402

IUPAC4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C13H16BrN3O3/c14-8-5-10(17(6-8)9-1-2-9)13(19)16-3-4-20-7-11(16)12(15)18/h5-6,9,11H,1-4,7H2,(H2,15,18)
InChIKeyVFOGGSNNNUPISP-UHFFFAOYSA-N
MW342.19 g/mol
LogP0.91
Rot. Bonds3

About 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide

4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide (PubChem CID 83095402) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide
PubChem CID83095402
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC Name4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C13H16BrN3O3/c14-8-5-10(17(6-8)9-1-2-9)13(19)16-3-4-20-7-11(16)12(15)18/h5-6,9,11H,1-4,7H2,(H2,15,18)
InChIKeyVFOGGSNNNUPISP-UHFFFAOYSA-N
XLogP0.91
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034455
(2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264683
4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide
CID 102852003
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775816
4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide
CID 83094286
(4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203683
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43640610
4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide
CID 61040589
1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide
CID 43641316
(4-bromo-1-cyclopropylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 62674187
4-(4-fluorobenzoyl)morpholine-3-carboxamide
CID 83093019
4-(naphthalene-2-carbonyl)morpholine-3-carboxamide
CID 119033707

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide?
The IUPAC name of 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide (CID 83095402) is 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide is NC(=O)C1COCCN1C(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide?
The InChIKey is VFOGGSNNNUPISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c14-8-5-10(17(6-8)9-1-2-9)13(19)16-3-4-20-7-11(16)12(15)18/h5-6,9,11H,1-4,7H2,(H2,15,18).
What are the key properties of 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide?
4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide has a molecular weight of 342.19 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide is sourced from PubChem (CID 83095402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).