1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea

C7H13N3O3 — CID 89271029

IUPAC1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea
SMILESC=CN(C)C(=O)NC(=O)N(C)CO
InChIInChI=1S/C7H13N3O3/c1-4-9(2)6(12)8-7(13)10(3)5-11/h4,11H,1,5H2,2-3H3,(H,8,12,13)
InChIKeyJLDRCRUOAWUVFI-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.23
Rot. Bonds2

About 1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea

1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea (PubChem CID 89271029) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea.

Molecular Properties

Compound Name1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea
PubChem CID89271029
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea
SMILESC=CN(C)C(=O)NC(=O)N(C)CO
InChIInChI=1S/C7H13N3O3/c1-4-9(2)6(12)8-7(13)10(3)5-11/h4,11H,1,5H2,2-3H3,(H,8,12,13)
InChIKeyJLDRCRUOAWUVFI-UHFFFAOYSA-N
XLogP-0.23
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-3-hydroxymethyl-4-imidazolin-2-one
CID 14245714
Ethenylcarbamoyl(methyl)carbamic acid
CID 54361286
1-[(Z)-2-hydroxyethenyl]-3-methylurea
CID 57976645
1-(Ethenylcarbamoyl)-1,3-dimethylurea
CID 58598634
3-(hydroxymethyl)-1H-imidazol-2-one
CID 69401320
N,N-Dimethyl-2-oxo-2,3-dihydro-1H-imidazole-1-carboxamide
CID 71397974
1-Ethenyl-1-(hydroxymethyl)urea
CID 141237690
1-Ethenyl-3-(methylcarbamoyl)urea
CID 145162369
3-Ethenyl-1,1-bis(hydroxymethyl)urea
CID 154142904
3-Carbamoyl-1,1-bis(ethenyl)urea
CID 174907789
1,1-Bis(ethenyl)-3,3-bis(hydroxymethyl)urea
CID 175101455
1-[[(E)-2-aminoethenyl]carbamoyl]-1,3-dimethylurea
CID 131233680

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea?
The IUPAC name of 1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea (CID 89271029) is 1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea.
What is the SMILES notation for 1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea?
The canonical SMILES for 1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea is C=CN(C)C(=O)NC(=O)N(C)CO.
What is the InChIKey of 1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea?
The InChIKey is JLDRCRUOAWUVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-4-9(2)6(12)8-7(13)10(3)5-11/h4,11H,1,5H2,2-3H3,(H,8,12,13).
What are the key properties of 1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea?
1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea has a molecular weight of 187.20 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[hydroxymethyl(methyl)carbamoyl]-1-methylurea is sourced from PubChem (CID 89271029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).