1-[(5-bromofuran-2-yl)methyl]-1-methylurea

C7H9BrN2O2 — CID 131134231

IUPAC1-[(5-bromofuran-2-yl)methyl]-1-methylurea
SMILESCN(Cc1ccc(Br)o1)C(N)=O
InChIInChI=1S/C7H9BrN2O2/c1-10(7(9)11)4-5-2-3-6(8)12-5/h2-3H,4H2,1H3,(H2,9,11)
InChIKeyHUPIJSWZKDYCSJ-UHFFFAOYSA-N
MW233.06 g/mol
LogP1.55
Rot. Bonds2

About 1-[(5-bromofuran-2-yl)methyl]-1-methylurea

1-[(5-bromofuran-2-yl)methyl]-1-methylurea (PubChem CID 131134231) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]-1-methylurea
PubChem CID131134231
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name1-[(5-bromofuran-2-yl)methyl]-1-methylurea
SMILESCN(Cc1ccc(Br)o1)C(N)=O
InChIInChI=1S/C7H9BrN2O2/c1-10(7(9)11)4-5-2-3-6(8)12-5/h2-3H,4H2,1H3,(H2,9,11)
InChIKeyHUPIJSWZKDYCSJ-UHFFFAOYSA-N
XLogP1.55
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromofuran-2-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62232100
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylbutanamide
CID 64676727
N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide
CID 60949729
3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
CID 107980321
3-amino-4-[(5-bromofuran-2-yl)methyl-methylamino]-4-oxobutanoic acid
CID 64896124
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide
CID 61108067
4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide
CID 82794027
2-(aminomethyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylpentanamide
CID 65227055
N-[(5-bromofuran-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 71690397
1-[(5-bromofuran-2-yl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 99699895
2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan
CID 112684674
(2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61165317

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-1-methylurea?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-1-methylurea (CID 131134231) is 1-[(5-bromofuran-2-yl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]-1-methylurea?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]-1-methylurea is CN(Cc1ccc(Br)o1)C(N)=O.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]-1-methylurea?
The InChIKey is HUPIJSWZKDYCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-10(7(9)11)4-5-2-3-6(8)12-5/h2-3H,4H2,1H3,(H2,9,11).
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]-1-methylurea?
1-[(5-bromofuran-2-yl)methyl]-1-methylurea has a molecular weight of 233.06 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl]-1-methylurea is sourced from PubChem (CID 131134231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).