1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one

C11H12BrN3O2 — CID 54877594

IUPAC1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C11H12BrN3O2/c12-7-5-9(15(6-7)8-1-2-8)10(16)14-4-3-13-11(14)17/h5-6,8H,1-4H2,(H,13,17)
InChIKeyMIUYWCPCRINGJM-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.75
Rot. Bonds2

About 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one

1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one (PubChem CID 54877594) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one
PubChem CID54877594
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C11H12BrN3O2/c12-7-5-9(15(6-7)8-1-2-8)10(16)14-4-3-13-11(14)17/h5-6,8H,1-4H2,(H,13,17)
InChIKeyMIUYWCPCRINGJM-UHFFFAOYSA-N
XLogP1.75
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43640610
(4-bromo-1-cyclopropylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 62674187
(4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 60955021
(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922359
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43641790
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721878
4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide
CID 61040589
(2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264683
(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034455
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(4-bromo-1-cyclopropylpyrrol-2-yl)methanone
CID 102679518
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 60954913
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775816

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one (CID 54877594) is 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one is O=C1NCCN1C(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one?
The InChIKey is MIUYWCPCRINGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c12-7-5-9(15(6-7)8-1-2-8)10(16)14-4-3-13-11(14)17/h5-6,8H,1-4H2,(H,13,17).
What are the key properties of 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one?
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one has a molecular weight of 298.14 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 54877594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).