1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one

C11H13BrN2O2 — CID 60955284

IUPAC1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one
SMILESCCn1cc(Br)cc1C(=O)N1CCCC1=O
InChIInChI=1S/C11H13BrN2O2/c1-2-13-7-8(12)6-9(13)11(16)14-5-3-4-10(14)15/h6-7H,2-5H2,1H3
InChIKeySEHUDRCBHHWDHU-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.03
Rot. Bonds2

About 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one

1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one (PubChem CID 60955284) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one
PubChem CID60955284
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one
SMILESCCn1cc(Br)cc1C(=O)N1CCCC1=O
InChIInChI=1S/C11H13BrN2O2/c1-2-13-7-8(12)6-9(13)11(16)14-5-3-4-10(14)15/h6-7H,2-5H2,1H3
InChIKeySEHUDRCBHHWDHU-UHFFFAOYSA-N
XLogP2.03
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one (CID 60955284) is 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one is CCn1cc(Br)cc1C(=O)N1CCCC1=O.
What is the InChIKey of 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one?
The InChIKey is SEHUDRCBHHWDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-2-13-7-8(12)6-9(13)11(16)14-5-3-4-10(14)15/h6-7H,2-5H2,1H3.
What are the key properties of 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one?
1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one has a molecular weight of 285.14 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 60955284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).