3-(2-But-3-enoxyethyl)-1,1-dimethylurea

C9H18N2O2 — CID 103853136

IUPAC3-(2-but-3-enoxyethyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCCOCCC=C
InChIInChI=1S/C9H18N2O2/c1-4-5-7-13-8-6-10-9(12)11(2)3/h4H,1,5-8H2,2-3H3,(H,10,12)
InChIKeyJBRQVSMNRMRCJM-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.50
Rot. Bonds6

About 3-(2-But-3-enoxyethyl)-1,1-dimethylurea

3-(2-But-3-enoxyethyl)-1,1-dimethylurea (PubChem CID 103853136) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(2-but-3-enoxyethyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(2-But-3-enoxyethyl)-1,1-dimethylurea
PubChem CID103853136
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-(2-but-3-enoxyethyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCCOCCC=C
InChIInChI=1S/C9H18N2O2/c1-4-5-7-13-8-6-10-9(12)11(2)3/h4H,1,5-8H2,2-3H3,(H,10,12)
InChIKeyJBRQVSMNRMRCJM-UHFFFAOYSA-N
XLogP0.50
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity158

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.50
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)-1,1-dimethylurea?
The IUPAC name of 3-(2-But-3-enoxyethyl)-1,1-dimethylurea (CID 103853136) is 3-(2-but-3-enoxyethyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(2-But-3-enoxyethyl)-1,1-dimethylurea?
The canonical SMILES for 3-(2-But-3-enoxyethyl)-1,1-dimethylurea is CN(C)C(=O)NCCOCCC=C.
What is the InChIKey of 3-(2-But-3-enoxyethyl)-1,1-dimethylurea?
The InChIKey is JBRQVSMNRMRCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-5-7-13-8-6-10-9(12)11(2)3/h4H,1,5-8H2,2-3H3,(H,10,12).
What are the key properties of 3-(2-But-3-enoxyethyl)-1,1-dimethylurea?
3-(2-But-3-enoxyethyl)-1,1-dimethylurea has a molecular weight of 186.25 g/mol, XLogP of 0.50, 6 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)-1,1-dimethylurea is sourced from PubChem (CID 103853136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).