1-(2-hydroxyethyl)-3-(methylideneamino)urea

C4H9N3O2 — CID 58331312

IUPAC1-(2-hydroxyethyl)-3-(methylideneamino)urea
SMILESC=NNC(=O)NCCO
InChIInChI=1S/C4H9N3O2/c1-5-7-4(9)6-2-3-8/h8H,1-3H2,(H2,6,7,9)
InChIKeyXYWYHAALBKTMKK-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.11
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-(methylideneamino)urea

1-(2-hydroxyethyl)-3-(methylideneamino)urea (PubChem CID 58331312) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(methylideneamino)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(methylideneamino)urea
PubChem CID58331312
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Name1-(2-hydroxyethyl)-3-(methylideneamino)urea
SMILESC=NNC(=O)NCCO
InChIInChI=1S/C4H9N3O2/c1-5-7-4(9)6-2-3-8/h8H,1-3H2,(H2,6,7,9)
InChIKeyXYWYHAALBKTMKK-UHFFFAOYSA-N
XLogP-1.11
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(methylideneamino)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(methylideneamino)urea (CID 58331312) is 1-(2-hydroxyethyl)-3-(methylideneamino)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(methylideneamino)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(methylideneamino)urea is C=NNC(=O)NCCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(methylideneamino)urea?
The InChIKey is XYWYHAALBKTMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2/c1-5-7-4(9)6-2-3-8/h8H,1-3H2,(H2,6,7,9).
What are the key properties of 1-(2-hydroxyethyl)-3-(methylideneamino)urea?
1-(2-hydroxyethyl)-3-(methylideneamino)urea has a molecular weight of 131.13 g/mol, XLogP of -1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(methylideneamino)urea is sourced from PubChem (CID 58331312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).