1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea

C8H16N2O2 — CID 108909571

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)N(CC)CCO
InChIInChI=1S/C8H16N2O2/c1-3-5-9-8(12)10(4-2)6-7-11/h3,5,11H,4,6-7H2,1-2H3,(H,9,12)/b5-3+
InChIKeyWTTIQLPFNQTTEX-HWKANZROSA-N
MW172.23 g/mol
LogP0.54
Rot. Bonds4

About 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea

1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea (PubChem CID 108909571) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea
PubChem CID108909571
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)N(CC)CCO
InChIInChI=1S/C8H16N2O2/c1-3-5-9-8(12)10(4-2)6-7-11/h3,5,11H,4,6-7H2,1-2H3,(H,9,12)/b5-3+
InChIKeyWTTIQLPFNQTTEX-HWKANZROSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea (CID 108909571) is 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea is C/C=C/NC(=O)N(CC)CCO.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea?
The InChIKey is WTTIQLPFNQTTEX-HWKANZROSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-5-9-8(12)10(4-2)6-7-11/h3,5,11H,4,6-7H2,1-2H3,(H,9,12)/b5-3+.
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea?
1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea has a molecular weight of 172.23 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 108909571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).