pent-4-enylurea

C6H12N2O — CID 55289982

IUPACpent-4-enylurea
SMILESC=CCCCNC(N)=O
InChIInChI=1S/C6H12N2O/c1-2-3-4-5-8-6(7)9/h2H,1,3-5H2,(H3,7,8,9)
InChIKeyVIVQFQRGRQHKHL-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.62
Rot. Bonds4

About pent-4-enylurea

pent-4-enylurea (PubChem CID 55289982) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is pent-4-enylurea.

Molecular Properties

Compound Namepent-4-enylurea
PubChem CID55289982
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Namepent-4-enylurea
SMILESC=CCCCNC(N)=O
InChIInChI=1S/C6H12N2O/c1-2-3-4-5-8-6(7)9/h2H,1,3-5H2,(H3,7,8,9)
InChIKeyVIVQFQRGRQHKHL-UHFFFAOYSA-N
XLogP0.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

Allylurea
CID 11181
n-5-Hexenyl urea
CID 55291393
N-pent-4-enylformamide
CID 19105614
1-But-3-enyl-1,3-dimethylurea
CID 55300349
1-Pent-4-enyl-3-propylurea
CID 166447960
3-Butenylurea
CID 15205523
3-But-3-enyl-1,1-dibutylurea
CID 23466617
1-Butyl-3-hept-6-enylurea
CID 23466743
Pent-3-enylurea
CID 53679582
2-Ethenylbut-3-enylurea
CID 87783517
Azane;prop-2-enylurea
CID 87985882
[(2S)-2-chloropent-4-enyl]urea
CID 88031598

Frequently Asked Questions

What is the IUPAC name of pent-4-enylurea?
The IUPAC name of pent-4-enylurea (CID 55289982) is pent-4-enylurea.
What is the SMILES notation for pent-4-enylurea?
The canonical SMILES for pent-4-enylurea is C=CCCCNC(N)=O.
What is the InChIKey of pent-4-enylurea?
The InChIKey is VIVQFQRGRQHKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-3-4-5-8-6(7)9/h2H,1,3-5H2,(H3,7,8,9).
What are the key properties of pent-4-enylurea?
pent-4-enylurea has a molecular weight of 128.17 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-enylurea is sourced from PubChem (CID 55289982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).