3-(2-but-3-enoxyethyl)-1-ethyl-1-methylurea

C10H20N2O2 — CID 103856919

IUPAC3-(2-but-3-enoxyethyl)-1-ethyl-1-methylurea
SMILESC=CCCOCCNC(=O)N(C)CC
InChIInChI=1S/C10H20N2O2/c1-4-6-8-14-9-7-11-10(13)12(3)5-2/h4H,1,5-9H2,2-3H3,(H,11,13)
InChIKeyMXJHBDSZLIUNIF-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.24
Rot. Bonds7

About 3-(2-but-3-enoxyethyl)-1-ethyl-1-methylurea

3-(2-but-3-enoxyethyl)-1-ethyl-1-methylurea (PubChem CID 103856919) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(2-but-3-enoxyethyl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(2-but-3-enoxyethyl)-1-ethyl-1-methylurea
PubChem CID103856919
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(2-but-3-enoxyethyl)-1-ethyl-1-methylurea
SMILESC=CCCOCCNC(=O)N(C)CC
InChIInChI=1S/C10H20N2O2/c1-4-6-8-14-9-7-11-10(13)12(3)5-2/h4H,1,5-9H2,2-3H3,(H,11,13)
InChIKeyMXJHBDSZLIUNIF-UHFFFAOYSA-N
XLogP1.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
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 3-(2-but-3-enoxyethyl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(2-but-3-enoxyethyl)-1-ethyl-1-methylurea (CID 103856919) is 3-(2-but-3-enoxyethyl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(2-but-3-enoxyethyl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(2-but-3-enoxyethyl)-1-ethyl-1-methylurea is C=CCCOCCNC(=O)N(C)CC.
What is the InChIKey of 3-(2-but-3-enoxyethyl)-1-ethyl-1-methylurea?
The InChIKey is MXJHBDSZLIUNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-6-8-14-9-7-11-10(13)12(3)5-2/h4H,1,5-9H2,2-3H3,(H,11,13).
What are the key properties of 3-(2-but-3-enoxyethyl)-1-ethyl-1-methylurea?
3-(2-but-3-enoxyethyl)-1-ethyl-1-methylurea has a molecular weight of 200.28 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-but-3-enoxyethyl)-1-ethyl-1-methylurea is sourced from PubChem (CID 103856919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).