1-(2-but-3-enoxyethyl)-3-propylurea

C10H20N2O2 — CID 103852778

IUPAC1-(2-but-3-enoxyethyl)-3-propylurea
SMILESC=CCCOCCNC(=O)NCCC
InChIInChI=1S/C10H20N2O2/c1-3-5-8-14-9-7-12-10(13)11-6-4-2/h3H,1,4-9H2,2H3,(H2,11,12,13)
InChIKeyCCKWNJKMMPILKT-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.29
Rot. Bonds8

About 1-(2-but-3-enoxyethyl)-3-propylurea

1-(2-but-3-enoxyethyl)-3-propylurea (PubChem CID 103852778) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-3-propylurea.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-3-propylurea
PubChem CID103852778
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(2-but-3-enoxyethyl)-3-propylurea
SMILESC=CCCOCCNC(=O)NCCC
InChIInChI=1S/C10H20N2O2/c1-3-5-8-14-9-7-12-10(13)11-6-4-2/h3H,1,4-9H2,2H3,(H2,11,12,13)
InChIKeyCCKWNJKMMPILKT-UHFFFAOYSA-N
XLogP1.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.29
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethyl)-3-propylurea?
The IUPAC name of 1-(2-but-3-enoxyethyl)-3-propylurea (CID 103852778) is 1-(2-but-3-enoxyethyl)-3-propylurea.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-3-propylurea?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-3-propylurea is C=CCCOCCNC(=O)NCCC.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-3-propylurea?
The InChIKey is CCKWNJKMMPILKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-5-8-14-9-7-12-10(13)11-6-4-2/h3H,1,4-9H2,2H3,(H2,11,12,13).
What are the key properties of 1-(2-but-3-enoxyethyl)-3-propylurea?
1-(2-but-3-enoxyethyl)-3-propylurea has a molecular weight of 200.28 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethyl)-3-propylurea is sourced from PubChem (CID 103852778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).