1-(2-hydroxyethyl)-3-prop-2-enylurea

C6H12N2O2 — CID 87694211

IUPAC1-(2-hydroxyethyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NCCO
InChIInChI=1S/C6H12N2O2/c1-2-3-7-6(10)8-4-5-9/h2,9H,1,3-5H2,(H2,7,8,10)
InChIKeyVLBARESUDYGHNF-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.54
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-prop-2-enylurea

1-(2-hydroxyethyl)-3-prop-2-enylurea (PubChem CID 87694211) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-prop-2-enylurea
PubChem CID87694211
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name1-(2-hydroxyethyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NCCO
InChIInChI=1S/C6H12N2O2/c1-2-3-7-6(10)8-4-5-9/h2,9H,1,3-5H2,(H2,7,8,10)
InChIKeyVLBARESUDYGHNF-UHFFFAOYSA-N
XLogP-0.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-prop-2-enylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-prop-2-enylurea (CID 87694211) is 1-(2-hydroxyethyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-prop-2-enylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-prop-2-enylurea is C=CCNC(=O)NCCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-prop-2-enylurea?
The InChIKey is VLBARESUDYGHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-3-7-6(10)8-4-5-9/h2,9H,1,3-5H2,(H2,7,8,10).
What are the key properties of 1-(2-hydroxyethyl)-3-prop-2-enylurea?
1-(2-hydroxyethyl)-3-prop-2-enylurea has a molecular weight of 144.17 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-prop-2-enylurea is sourced from PubChem (CID 87694211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).