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

C9H18N2O2 — CID 103852775

IUPAC1-(2-but-3-enoxyethyl)-3-ethylurea
SMILESC=CCCOCCNC(=O)NCC
InChIInChI=1S/C9H18N2O2/c1-3-5-7-13-8-6-11-9(12)10-4-2/h3H,1,4-8H2,2H3,(H2,10,11,12)
InChIKeyOTMRBVWBSJUKDF-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.90
Rot. Bonds7

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

1-(2-but-3-enoxyethyl)-3-ethylurea (PubChem CID 103852775) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-3-ethylurea.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-3-ethylurea
PubChem CID103852775
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(2-but-3-enoxyethyl)-3-ethylurea
SMILESC=CCCOCCNC(=O)NCC
InChIInChI=1S/C9H18N2O2/c1-3-5-7-13-8-6-11-9(12)10-4-2/h3H,1,4-8H2,2H3,(H2,10,11,12)
InChIKeyOTMRBVWBSJUKDF-UHFFFAOYSA-N
XLogP0.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.90
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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Related Compounds

1-(2-But-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 103853132
2-But-1-enoxyethylurea
CID 154244653
2-(Ethylcarbamoylamino)ethyl pent-4-enoate
CID 71876226
1-(2-Methoxyethyl)-1-prop-2-enyl-3-propylurea
CID 103338591
3-Ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea
CID 103338592
1-(2-Methoxyethyl)-3-methyl-1-prop-2-enylurea
CID 103338599
1-(2-But-3-enoxyethyl)-3-butylurea
CID 103852770
1-(2-But-3-enoxyethyl)-3-propan-2-ylurea
CID 103852771
1-(2-But-3-enoxyethyl)-3-cyclopropylurea
CID 103852772
1-(2-But-3-enoxyethyl)-3-methylurea
CID 103852773
2-But-3-enoxyethylurea
CID 103852774
1-(2-But-3-enoxyethyl)-3-tert-butylurea
CID 103852776

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethyl)-3-ethylurea?
The IUPAC name of 1-(2-but-3-enoxyethyl)-3-ethylurea (CID 103852775) is 1-(2-but-3-enoxyethyl)-3-ethylurea.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-3-ethylurea?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-3-ethylurea is C=CCCOCCNC(=O)NCC.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-3-ethylurea?
The InChIKey is OTMRBVWBSJUKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-5-7-13-8-6-11-9(12)10-4-2/h3H,1,4-8H2,2H3,(H2,10,11,12).
What are the key properties of 1-(2-but-3-enoxyethyl)-3-ethylurea?
1-(2-but-3-enoxyethyl)-3-ethylurea has a molecular weight of 186.25 g/mol, XLogP of 0.90, 7 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-ethylurea is sourced from PubChem (CID 103852775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).