1-ethyl-3-prop-2-enoxyurea

C6H12N2O2 — CID 131162690

IUPAC1-ethyl-3-prop-2-enoxyurea
SMILESC=CCONC(=O)NCC
InChIInChI=1S/C6H12N2O2/c1-3-5-10-8-6(9)7-4-2/h3H,1,4-5H2,2H3,(H2,7,8,9)
InChIKeyOGNXIJXFNWOSHL-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.42
Rot. Bonds4

About 1-ethyl-3-prop-2-enoxyurea

1-ethyl-3-prop-2-enoxyurea (PubChem CID 131162690) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-ethyl-3-prop-2-enoxyurea.

Molecular Properties

Compound Name1-ethyl-3-prop-2-enoxyurea
PubChem CID131162690
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name1-ethyl-3-prop-2-enoxyurea
SMILESC=CCONC(=O)NCC
InChIInChI=1S/C6H12N2O2/c1-3-5-10-8-6(9)7-4-2/h3H,1,4-5H2,2H3,(H2,7,8,9)
InChIKeyOGNXIJXFNWOSHL-UHFFFAOYSA-N
XLogP0.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-ethyl-3-prop-2-enoxyurea?
The IUPAC name of 1-ethyl-3-prop-2-enoxyurea (CID 131162690) is 1-ethyl-3-prop-2-enoxyurea.
What is the SMILES notation for 1-ethyl-3-prop-2-enoxyurea?
The canonical SMILES for 1-ethyl-3-prop-2-enoxyurea is C=CCONC(=O)NCC.
What is the InChIKey of 1-ethyl-3-prop-2-enoxyurea?
The InChIKey is OGNXIJXFNWOSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-5-10-8-6(9)7-4-2/h3H,1,4-5H2,2H3,(H2,7,8,9).
What are the key properties of 1-ethyl-3-prop-2-enoxyurea?
1-ethyl-3-prop-2-enoxyurea has a molecular weight of 144.17 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-prop-2-enoxyurea is sourced from PubChem (CID 131162690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).