1-(1-methoxybut-3-en-2-yl)-3-methylurea

C7H14N2O2 — CID 131222886

IUPAC1-(1-methoxybut-3-en-2-yl)-3-methylurea
SMILESC=CC(COC)NC(=O)NC
InChIInChI=1S/C7H14N2O2/c1-4-6(5-11-3)9-7(10)8-2/h4,6H,1,5H2,2-3H3,(H2,8,9,10)
InChIKeyOYBYCAQLPNJFKV-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.12
Rot. Bonds4

About 1-(1-methoxybut-3-en-2-yl)-3-methylurea

1-(1-methoxybut-3-en-2-yl)-3-methylurea (PubChem CID 131222886) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(1-methoxybut-3-en-2-yl)-3-methylurea.

Molecular Properties

Compound Name1-(1-methoxybut-3-en-2-yl)-3-methylurea
PubChem CID131222886
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-(1-methoxybut-3-en-2-yl)-3-methylurea
SMILESC=CC(COC)NC(=O)NC
InChIInChI=1S/C7H14N2O2/c1-4-6(5-11-3)9-7(10)8-2/h4,6H,1,5H2,2-3H3,(H2,8,9,10)
InChIKeyOYBYCAQLPNJFKV-UHFFFAOYSA-N
XLogP0.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxybut-3-en-2-yl)-3-methylurea?
The IUPAC name of 1-(1-methoxybut-3-en-2-yl)-3-methylurea (CID 131222886) is 1-(1-methoxybut-3-en-2-yl)-3-methylurea.
What is the SMILES notation for 1-(1-methoxybut-3-en-2-yl)-3-methylurea?
The canonical SMILES for 1-(1-methoxybut-3-en-2-yl)-3-methylurea is C=CC(COC)NC(=O)NC.
What is the InChIKey of 1-(1-methoxybut-3-en-2-yl)-3-methylurea?
The InChIKey is OYBYCAQLPNJFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4-6(5-11-3)9-7(10)8-2/h4,6H,1,5H2,2-3H3,(H2,8,9,10).
What are the key properties of 1-(1-methoxybut-3-en-2-yl)-3-methylurea?
1-(1-methoxybut-3-en-2-yl)-3-methylurea has a molecular weight of 158.20 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxybut-3-en-2-yl)-3-methylurea is sourced from PubChem (CID 131222886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).