2-but-1-enoxyethylurea

C7H14N2O2 — CID 154244653

IUPAC2-but-1-enoxyethylurea
SMILESCCC=COCCNC(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-3-5-11-6-4-9-7(8)10/h3,5H,2,4,6H2,1H3,(H3,8,9,10)
InChIKeyCJGIRWKZUQTFKG-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.60
Rot. Bonds5

About 2-but-1-enoxyethylurea

2-but-1-enoxyethylurea (PubChem CID 154244653) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-but-1-enoxyethylurea.

Molecular Properties

Compound Name2-but-1-enoxyethylurea
PubChem CID154244653
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-but-1-enoxyethylurea
SMILESCCC=COCCNC(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-3-5-11-6-4-9-7(8)10/h3,5H,2,4,6H2,1H3,(H3,8,9,10)
InChIKeyCJGIRWKZUQTFKG-UHFFFAOYSA-N
XLogP0.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-but-1-enoxyethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Dihydrofuran-2-ylmethylurea
CID 88997485
3-Methoxyprop-2-enylurea
CID 173449563
1-(2-But-3-enoxyethyl)-3-methylurea
CID 103852773
2-But-3-enoxyethylurea
CID 103852774
1-(2-But-3-enoxyethyl)-3-ethylurea
CID 103852775
1-(2-But-3-enoxyethyl)-3-propylurea
CID 103852778
3-(2-But-3-enoxyethyl)-1,1-dimethylurea
CID 103853136
3-(2-But-3-enoxyethyl)-1-ethyl-1-methylurea
CID 103856919
1-[(E)-but-1-enyl]-3-(2-methoxyethyl)urea
CID 108910544
1-(1-Methoxybut-3-en-2-yl)-3-methylurea
CID 131222886
1-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]urea
CID 131248592
N-[2-[(E)-3-aminobut-1-enoxy]ethyl]formamide
CID 142554702

Frequently Asked Questions

What is the IUPAC name of 2-but-1-enoxyethylurea?
The IUPAC name of 2-but-1-enoxyethylurea (CID 154244653) is 2-but-1-enoxyethylurea.
What is the SMILES notation for 2-but-1-enoxyethylurea?
The canonical SMILES for 2-but-1-enoxyethylurea is CCC=COCCNC(N)=O.
What is the InChIKey of 2-but-1-enoxyethylurea?
The InChIKey is CJGIRWKZUQTFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-3-5-11-6-4-9-7(8)10/h3,5H,2,4,6H2,1H3,(H3,8,9,10).
What are the key properties of 2-but-1-enoxyethylurea?
2-but-1-enoxyethylurea has a molecular weight of 158.20 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enoxyethylurea is sourced from PubChem (CID 154244653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).