3-[(E)-but-2-enyl]-1,1-dimethylurea

C7H14N2O — CID 15112125

IUPAC3-[(E)-but-2-enyl]-1,1-dimethylurea
SMILESC/C=C/CNC(=O)N(C)C
InChIInChI=1S/C7H14N2O/c1-4-5-6-8-7(10)9(2)3/h4-5H,6H2,1-3H3,(H,8,10)/b5-4+
InChIKeyOJBGYLXEAAKHAC-SNAWJCMRSA-N
MW142.20 g/mol
LogP0.83
Rot. Bonds2

About 3-[(E)-but-2-enyl]-1,1-dimethylurea

3-[(E)-but-2-enyl]-1,1-dimethylurea (PubChem CID 15112125) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-[(E)-but-2-enyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(E)-but-2-enyl]-1,1-dimethylurea
PubChem CID15112125
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-[(E)-but-2-enyl]-1,1-dimethylurea
SMILESC/C=C/CNC(=O)N(C)C
InChIInChI=1S/C7H14N2O/c1-4-5-6-8-7(10)9(2)3/h4-5H,6H2,1-3H3,(H,8,10)/b5-4+
InChIKeyOJBGYLXEAAKHAC-SNAWJCMRSA-N
XLogP0.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-[(E)-but-2-enyl]-1,1-dimethylurea?
The IUPAC name of 3-[(E)-but-2-enyl]-1,1-dimethylurea (CID 15112125) is 3-[(E)-but-2-enyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(E)-but-2-enyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(E)-but-2-enyl]-1,1-dimethylurea is C/C=C/CNC(=O)N(C)C.
What is the InChIKey of 3-[(E)-but-2-enyl]-1,1-dimethylurea?
The InChIKey is OJBGYLXEAAKHAC-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-5-6-8-7(10)9(2)3/h4-5H,6H2,1-3H3,(H,8,10)/b5-4+.
What are the key properties of 3-[(E)-but-2-enyl]-1,1-dimethylurea?
3-[(E)-but-2-enyl]-1,1-dimethylurea has a molecular weight of 142.20 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-enyl]-1,1-dimethylurea is sourced from PubChem (CID 15112125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).