2-but-3-enoxyethylurea

C7H14N2O2 — CID 103852774

IUPAC2-but-3-enoxyethylurea
SMILESC=CCCOCCNC(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-3-5-11-6-4-9-7(8)10/h2H,1,3-6H2,(H3,8,9,10)
InChIKeyQWJUCKPFUVJDJL-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.25
Rot. Bonds6

About 2-but-3-enoxyethylurea

2-but-3-enoxyethylurea (PubChem CID 103852774) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-but-3-enoxyethylurea.

Molecular Properties

Compound Name2-but-3-enoxyethylurea
PubChem CID103852774
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-but-3-enoxyethylurea
SMILESC=CCCOCCNC(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-3-5-11-6-4-9-7(8)10/h2H,1,3-6H2,(H3,8,9,10)
InChIKeyQWJUCKPFUVJDJL-UHFFFAOYSA-N
XLogP0.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.25
H-Bond Donors ≤ 52
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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Related Compounds

(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
1-(2-but-3-enoxyethyl)-3-methylurea
CID 103852773
1-amino-N-(2-but-3-enoxyethyl)cyclopropane-1-carboxamide
CID 103950980
N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide
CID 103855692
7-amino-N-(2-but-3-enoxyethyl)heptanamide
CID 114183717
2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide
CID 106398035
6-(2-but-3-enoxyethylamino)-6-oxohexanoic acid
CID 106394786
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylurea
CID 71392373
4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide
CID 106398026
N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide
CID 106398280
3-(2-but-3-enoxyethylamino)butanamide
CID 115896708
2-[[2-(2-but-3-enoxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 106404893

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxyethylurea?
The IUPAC name of 2-but-3-enoxyethylurea (CID 103852774) is 2-but-3-enoxyethylurea.
What is the SMILES notation for 2-but-3-enoxyethylurea?
The canonical SMILES for 2-but-3-enoxyethylurea is C=CCCOCCNC(N)=O.
What is the InChIKey of 2-but-3-enoxyethylurea?
The InChIKey is QWJUCKPFUVJDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-3-5-11-6-4-9-7(8)10/h2H,1,3-6H2,(H3,8,9,10).
What are the key properties of 2-but-3-enoxyethylurea?
2-but-3-enoxyethylurea has a molecular weight of 158.20 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxyethylurea is sourced from PubChem (CID 103852774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).