1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one

C7H11BrN2O — CID 130674408

IUPAC1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one
SMILESC=C(Br)CN1CCN(C)C1=O
InChIInChI=1S/C7H11BrN2O/c1-6(8)5-10-4-3-9(2)7(10)11/h1,3-5H2,2H3
InChIKeyHQSDAJAQPKJOIQ-UHFFFAOYSA-N
MW219.08 g/mol
LogP1.26
Rot. Bonds2

About 1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one

1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one (PubChem CID 130674408) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one
PubChem CID130674408
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one
SMILESC=C(Br)CN1CCN(C)C1=O
InChIInChI=1S/C7H11BrN2O/c1-6(8)5-10-4-3-9(2)7(10)11/h1,3-5H2,2H3
InChIKeyHQSDAJAQPKJOIQ-UHFFFAOYSA-N
XLogP1.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one (CID 130674408) is 1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one is C=C(Br)CN1CCN(C)C1=O.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one?
The InChIKey is HQSDAJAQPKJOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O/c1-6(8)5-10-4-3-9(2)7(10)11/h1,3-5H2,2H3.
What are the key properties of 1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one?
1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one has a molecular weight of 219.08 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 130674408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).