1-(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-cyclopropylimidazolidin-4-one

C15H15BrN2O4 — CID 136538459

IUPAC1-(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-cyclopropylimidazolidin-4-one
SMILESO=C(c1cc(Br)c2c(c1)OCCO2)N1CC(=O)N(C2CC2)C1
InChIInChI=1S/C15H15BrN2O4/c16-11-5-9(6-12-14(11)22-4-3-21-12)15(20)17-7-13(19)18(8-17)10-1-2-10/h5-6,10H,1-4,7-8H2
InChIKeyLPRQGRODJFSRLY-UHFFFAOYSA-N
MW367.20 g/mol
LogP1.62
Rot. Bonds2

About 1-(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-cyclopropylimidazolidin-4-one

1-(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-cyclopropylimidazolidin-4-one (PubChem CID 136538459) has the molecular formula C15H15BrN2O4 and a molecular weight of 367.20 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-cyclopropylimidazolidin-4-one.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-cyclopropylimidazolidin-4-one
PubChem CID136538459
Molecular FormulaC15H15BrN2O4
Molecular Weight367.20 g/mol
Exact Mass366.02
IUPAC Name1-(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-cyclopropylimidazolidin-4-one
SMILESO=C(c1cc(Br)c2c(c1)OCCO2)N1CC(=O)N(C2CC2)C1
InChIInChI=1S/C15H15BrN2O4/c16-11-5-9(6-12-14(11)22-4-3-21-12)15(20)17-7-13(19)18(8-17)10-1-2-10/h5-6,10H,1-4,7-8H2
InChIKeyLPRQGRODJFSRLY-UHFFFAOYSA-N
XLogP1.62
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-cyclopropylimidazolidin-4-one?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-cyclopropylimidazolidin-4-one (CID 136538459) is 1-(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-cyclopropylimidazolidin-4-one.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-cyclopropylimidazolidin-4-one?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-cyclopropylimidazolidin-4-one is O=C(c1cc(Br)c2c(c1)OCCO2)N1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-cyclopropylimidazolidin-4-one?
The InChIKey is LPRQGRODJFSRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4/c16-11-5-9(6-12-14(11)22-4-3-21-12)15(20)17-7-13(19)18(8-17)10-1-2-10/h5-6,10H,1-4,7-8H2.
What are the key properties of 1-(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-cyclopropylimidazolidin-4-one?
1-(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-cyclopropylimidazolidin-4-one has a molecular weight of 367.20 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-cyclopropylimidazolidin-4-one is sourced from PubChem (CID 136538459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).