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

C6H12N2O4 — CID 154134993

IUPAC1-ethenyl-1,3,3-tris(hydroxymethyl)urea
SMILESC=CN(CO)C(=O)N(CO)CO
InChIInChI=1S/C6H12N2O4/c1-2-7(3-9)6(12)8(4-10)5-11/h2,9-11H,1,3-5H2
InChIKeyKBRYXYCPBRGMLG-UHFFFAOYSA-N
MW176.17 g/mol
LogP-1.30
Rot. Bonds4

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

1-ethenyl-1,3,3-tris(hydroxymethyl)urea (PubChem CID 154134993) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-ethenyl-1,3,3-tris(hydroxymethyl)urea.

Molecular Properties

Compound Name1-ethenyl-1,3,3-tris(hydroxymethyl)urea
PubChem CID154134993
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name1-ethenyl-1,3,3-tris(hydroxymethyl)urea
SMILESC=CN(CO)C(=O)N(CO)CO
InChIInChI=1S/C6H12N2O4/c1-2-7(3-9)6(12)8(4-10)5-11/h2,9-11H,1,3-5H2
InChIKeyKBRYXYCPBRGMLG-UHFFFAOYSA-N
XLogP-1.30
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1,3,3-tris(hydroxymethyl)urea
CID 18402780
prop-2-enyl N,N-bis(hydroxymethyl)carbamate
CID 54415471
1-ethenyl-1-(2-hydroxyethyl)urea
CID 57006920
1,1,3-tris(hydroxymethyl)-3-(3-hydroxypropyl)urea
CID 175507272
1-carbamimidoyl-1,3,3-tris(hydroxymethyl)urea
CID 156855314
1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea
CID 157141155
N-ethenyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide
CID 170582937
ethenyl 2-[carbamoyl(ethenyl)amino]acetate
CID 123883103
ethane;N-ethenyl-N-(2-hydroxyethyl)-2-methylprop-2-enamide
CID 170582936
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914
2-hydroxyacetic acid;tris(prop-1-ene)
CID 159374774
2-hydroxyacetic acid;prop-1-ene
CID 19035670

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1,3,3-tris(hydroxymethyl)urea?
The IUPAC name of 1-ethenyl-1,3,3-tris(hydroxymethyl)urea (CID 154134993) is 1-ethenyl-1,3,3-tris(hydroxymethyl)urea.
What is the SMILES notation for 1-ethenyl-1,3,3-tris(hydroxymethyl)urea?
The canonical SMILES for 1-ethenyl-1,3,3-tris(hydroxymethyl)urea is C=CN(CO)C(=O)N(CO)CO.
What is the InChIKey of 1-ethenyl-1,3,3-tris(hydroxymethyl)urea?
The InChIKey is KBRYXYCPBRGMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-2-7(3-9)6(12)8(4-10)5-11/h2,9-11H,1,3-5H2.
What are the key properties of 1-ethenyl-1,3,3-tris(hydroxymethyl)urea?
1-ethenyl-1,3,3-tris(hydroxymethyl)urea has a molecular weight of 176.17 g/mol, XLogP of -1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1,3,3-tris(hydroxymethyl)urea is sourced from PubChem (CID 154134993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).