3-ethenyl-1,1-bis(hydroxymethyl)urea

C5H10N2O3 — CID 154142904

IUPAC3-ethenyl-1,1-bis(hydroxymethyl)urea
SMILESC=CNC(=O)N(CO)CO
InChIInChI=1S/C5H10N2O3/c1-2-6-5(10)7(3-8)4-9/h2,8-9H,1,3-4H2,(H,6,10)
InChIKeyRDJPEQMBTXAQRM-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.96
Rot. Bonds3

About 3-ethenyl-1,1-bis(hydroxymethyl)urea

3-ethenyl-1,1-bis(hydroxymethyl)urea (PubChem CID 154142904) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 3-ethenyl-1,1-bis(hydroxymethyl)urea.

Molecular Properties

Compound Name3-ethenyl-1,1-bis(hydroxymethyl)urea
PubChem CID154142904
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name3-ethenyl-1,1-bis(hydroxymethyl)urea
SMILESC=CNC(=O)N(CO)CO
InChIInChI=1S/C5H10N2O3/c1-2-6-5(10)7(3-8)4-9/h2,8-9H,1,3-4H2,(H,6,10)
InChIKeyRDJPEQMBTXAQRM-UHFFFAOYSA-N
XLogP-0.96
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,3-Dihydro-1h-imidazol-1-yl)methanol
CID 91187817
1-Methyl-3-hydroxymethyl-4-imidazolin-2-one
CID 14245714
1,3-Bis(hydroxymethyl)imidazol-2-one
CID 17972790
1-Ethenyl-1,3-dimethylurea
CID 18417869
4-hydroxy-3-(hydroxymethyl)-1H-imidazol-2-one
CID 53631098
5-hydroxy-3-(hydroxymethyl)-1H-imidazol-2-one
CID 53894706
3-Ethenyl-1,1-dimethylurea
CID 53968134
1-[(Z)-2-hydroxyethenyl]-3-methylurea
CID 57976645
[Ethenyl(methyl)carbamoyl]-methanidyl-methylazanium
CID 59820621
3-(hydroxymethyl)-1H-imidazol-2-one
CID 69401320
1,1,3-Tris(ethenyl)urea
CID 71773701
1-(1-Hydroxyethenyl)-3-(hydroxymethyl)urea
CID 88536485

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,1-bis(hydroxymethyl)urea?
The IUPAC name of 3-ethenyl-1,1-bis(hydroxymethyl)urea (CID 154142904) is 3-ethenyl-1,1-bis(hydroxymethyl)urea.
What is the SMILES notation for 3-ethenyl-1,1-bis(hydroxymethyl)urea?
The canonical SMILES for 3-ethenyl-1,1-bis(hydroxymethyl)urea is C=CNC(=O)N(CO)CO.
What is the InChIKey of 3-ethenyl-1,1-bis(hydroxymethyl)urea?
The InChIKey is RDJPEQMBTXAQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-2-6-5(10)7(3-8)4-9/h2,8-9H,1,3-4H2,(H,6,10).
What are the key properties of 3-ethenyl-1,1-bis(hydroxymethyl)urea?
3-ethenyl-1,1-bis(hydroxymethyl)urea has a molecular weight of 146.15 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,1-bis(hydroxymethyl)urea is sourced from PubChem (CID 154142904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).