3-(2-bromoprop-2-enyl)-1,1-diethylurea

C8H15BrN2O — CID 115595139

IUPAC3-(2-bromoprop-2-enyl)-1,1-diethylurea
SMILESC=C(Br)CNC(=O)N(CC)CC
InChIInChI=1S/C8H15BrN2O/c1-4-11(5-2)8(12)10-6-7(3)9/h3-6H2,1-2H3,(H,10,12)
InChIKeyVVSVCUQCCIPOSD-UHFFFAOYSA-N
MW235.12 g/mol
LogP1.95
Rot. Bonds4

About 3-(2-bromoprop-2-enyl)-1,1-diethylurea

3-(2-bromoprop-2-enyl)-1,1-diethylurea (PubChem CID 115595139) has the molecular formula C8H15BrN2O and a molecular weight of 235.12 g/mol. Its IUPAC name is 3-(2-bromoprop-2-enyl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(2-bromoprop-2-enyl)-1,1-diethylurea
PubChem CID115595139
Molecular FormulaC8H15BrN2O
Molecular Weight235.12 g/mol
Exact Mass234.04
IUPAC Name3-(2-bromoprop-2-enyl)-1,1-diethylurea
SMILESC=C(Br)CNC(=O)N(CC)CC
InChIInChI=1S/C8H15BrN2O/c1-4-11(5-2)8(12)10-6-7(3)9/h3-6H2,1-2H3,(H,10,12)
InChIKeyVVSVCUQCCIPOSD-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 115583198
2-(diethylcarbamoylamino)-N-propylacetamide
CID 115575868
ethyl 2-(diethylcarbamoylamino)acetate
CID 43385178
N-tert-butyl-2-(diethylcarbamoylamino)acetamide
CID 115575873
2-bromoprop-2-enylcarbamic acid
CID 118140795
2-[[ethyl(propyl)carbamoyl]amino]acetic acid
CID 43445697
(2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide
CID 104861241
1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea
CID 83030843
cyclopropylmethyl 2-(diethylcarbamoylamino)acetate
CID 71876608
1,1-diethyl-3-(2-hydroxy-3-methylbutyl)urea
CID 115755100
1,1-diethyl-3-(3,3,3-trifluoropropyl)urea
CID 115650872
4-(diethylcarbamoylamino)butanoic acid
CID 28511499

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoprop-2-enyl)-1,1-diethylurea?
The IUPAC name of 3-(2-bromoprop-2-enyl)-1,1-diethylurea (CID 115595139) is 3-(2-bromoprop-2-enyl)-1,1-diethylurea.
What is the SMILES notation for 3-(2-bromoprop-2-enyl)-1,1-diethylurea?
The canonical SMILES for 3-(2-bromoprop-2-enyl)-1,1-diethylurea is C=C(Br)CNC(=O)N(CC)CC.
What is the InChIKey of 3-(2-bromoprop-2-enyl)-1,1-diethylurea?
The InChIKey is VVSVCUQCCIPOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN2O/c1-4-11(5-2)8(12)10-6-7(3)9/h3-6H2,1-2H3,(H,10,12).
What are the key properties of 3-(2-bromoprop-2-enyl)-1,1-diethylurea?
3-(2-bromoprop-2-enyl)-1,1-diethylurea has a molecular weight of 235.12 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoprop-2-enyl)-1,1-diethylurea is sourced from PubChem (CID 115595139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).