prop-2-enoxyurea

C4H8N2O2 — CID 14775875

IUPACprop-2-enoxyurea
SMILESC=CCONC(N)=O
InChIInChI=1S/C4H8N2O2/c1-2-3-8-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
InChIKeyGOPGJQIHHNNMNL-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.23
Rot. Bonds3

About prop-2-enoxyurea

prop-2-enoxyurea (PubChem CID 14775875) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is prop-2-enoxyurea.

Molecular Properties

Compound Nameprop-2-enoxyurea
PubChem CID14775875
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Nameprop-2-enoxyurea
SMILESC=CCONC(N)=O
InChIInChI=1S/C4H8N2O2/c1-2-3-8-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
InChIKeyGOPGJQIHHNNMNL-UHFFFAOYSA-N
XLogP-0.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.23
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enoxyurea?
The IUPAC name of prop-2-enoxyurea (CID 14775875) is prop-2-enoxyurea.
What is the SMILES notation for prop-2-enoxyurea?
The canonical SMILES for prop-2-enoxyurea is C=CCONC(N)=O.
What is the InChIKey of prop-2-enoxyurea?
The InChIKey is GOPGJQIHHNNMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2-3-8-6-4(5)7/h2H,1,3H2,(H3,5,6,7).
What are the key properties of prop-2-enoxyurea?
prop-2-enoxyurea has a molecular weight of 116.12 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxyurea is sourced from PubChem (CID 14775875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).