3-ethenoxypropylurea

C6H12N2O2 — CID 55288672

IUPAC3-ethenoxypropylurea
SMILESC=COCCCNC(N)=O
InChIInChI=1S/C6H12N2O2/c1-2-10-5-3-4-8-6(7)9/h2H,1,3-5H2,(H3,7,8,9)
InChIKeyBPAZCWSPOCHLKP-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.20
Rot. Bonds5

About 3-ethenoxypropylurea

3-ethenoxypropylurea (PubChem CID 55288672) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-ethenoxypropylurea.

Molecular Properties

Compound Name3-ethenoxypropylurea
PubChem CID55288672
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-ethenoxypropylurea
SMILESC=COCCCNC(N)=O
InChIInChI=1S/C6H12N2O2/c1-2-10-5-3-4-8-6(7)9/h2H,1,3-5H2,(H3,7,8,9)
InChIKeyBPAZCWSPOCHLKP-UHFFFAOYSA-N
XLogP0.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.20
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxypropylurea?
The IUPAC name of 3-ethenoxypropylurea (CID 55288672) is 3-ethenoxypropylurea.
What is the SMILES notation for 3-ethenoxypropylurea?
The canonical SMILES for 3-ethenoxypropylurea is C=COCCCNC(N)=O.
What is the InChIKey of 3-ethenoxypropylurea?
The InChIKey is BPAZCWSPOCHLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-10-5-3-4-8-6(7)9/h2H,1,3-5H2,(H3,7,8,9).
What are the key properties of 3-ethenoxypropylurea?
3-ethenoxypropylurea has a molecular weight of 144.17 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxypropylurea is sourced from PubChem (CID 55288672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).