1-ethenyl-1,3,3-trimethylurea

C6H12N2O — CID 56977394

IUPAC1-ethenyl-1,3,3-trimethylurea
SMILESC=CN(C)C(=O)N(C)C
InChIInChI=1S/C6H12N2O/c1-5-8(4)6(9)7(2)3/h5H,1H2,2-4H3
InChIKeyATEGJFUKNUYDGP-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.74
Rot. Bonds1

About 1-ethenyl-1,3,3-trimethylurea

1-ethenyl-1,3,3-trimethylurea (PubChem CID 56977394) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-ethenyl-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-ethenyl-1,3,3-trimethylurea
PubChem CID56977394
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1-ethenyl-1,3,3-trimethylurea
SMILESC=CN(C)C(=O)N(C)C
InChIInChI=1S/C6H12N2O/c1-5-8(4)6(9)7(2)3/h5H,1H2,2-4H3
InChIKeyATEGJFUKNUYDGP-UHFFFAOYSA-N
XLogP0.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Dimethyl-2-imidazolone
CID 6933312
Methylenbismethylharnstoff
CID 18417868
Divinyl urea
CID 23500969
1,3-Bis(ethenyl)imidazol-2-one
CID 45087691
1,3-Dimethylimidazolium carboxylate
CID 89823013
1,1,3-trimethyl-3-[(E)-prop-1-enyl]urea
CID 90473859
4-Fluoro-1,3-dimethylimidazol-2-one
CID 152172525
1-Ethyl-3-(2-fluoroethyl)imidazol-2-one
CID 116624320
1-(2-Fluoroethyl)-3-methylimidazol-2-one
CID 116624561
1-Ethenyl-1,3-dimethylurea
CID 18417869
bis(3-methyl-2H-imidazol-1-yl)methanone
CID 18944350
3-methyl-2H-imidazole-1-carboxamide
CID 21282032

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1,3,3-trimethylurea?
The IUPAC name of 1-ethenyl-1,3,3-trimethylurea (CID 56977394) is 1-ethenyl-1,3,3-trimethylurea.
What is the SMILES notation for 1-ethenyl-1,3,3-trimethylurea?
The canonical SMILES for 1-ethenyl-1,3,3-trimethylurea is C=CN(C)C(=O)N(C)C.
What is the InChIKey of 1-ethenyl-1,3,3-trimethylurea?
The InChIKey is ATEGJFUKNUYDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5-8(4)6(9)7(2)3/h5H,1H2,2-4H3.
What are the key properties of 1-ethenyl-1,3,3-trimethylurea?
1-ethenyl-1,3,3-trimethylurea has a molecular weight of 128.17 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1,3,3-trimethylurea is sourced from PubChem (CID 56977394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).