1-methoxy-3-prop-2-enylurea

C5H10N2O2 — CID 131153811

IUPAC1-methoxy-3-prop-2-enylurea
SMILESC=CCNC(=O)NOC
InChIInChI=1S/C5H10N2O2/c1-3-4-6-5(8)7-9-2/h3H,1,4H2,2H3,(H2,6,7,8)
InChIKeyVOCRZOXOHXTXGT-UHFFFAOYSA-N
MW130.15 g/mol
LogP0.03
Rot. Bonds3

About 1-methoxy-3-prop-2-enylurea

1-methoxy-3-prop-2-enylurea (PubChem CID 131153811) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 1-methoxy-3-prop-2-enylurea.

Molecular Properties

Compound Name1-methoxy-3-prop-2-enylurea
PubChem CID131153811
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name1-methoxy-3-prop-2-enylurea
SMILESC=CCNC(=O)NOC
InChIInChI=1S/C5H10N2O2/c1-3-4-6-5(8)7-9-2/h3H,1,4H2,2H3,(H2,6,7,8)
InChIKeyVOCRZOXOHXTXGT-UHFFFAOYSA-N
XLogP0.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1-methoxy-3-prop-2-enylurea?
The IUPAC name of 1-methoxy-3-prop-2-enylurea (CID 131153811) is 1-methoxy-3-prop-2-enylurea.
What is the SMILES notation for 1-methoxy-3-prop-2-enylurea?
The canonical SMILES for 1-methoxy-3-prop-2-enylurea is C=CCNC(=O)NOC.
What is the InChIKey of 1-methoxy-3-prop-2-enylurea?
The InChIKey is VOCRZOXOHXTXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-3-4-6-5(8)7-9-2/h3H,1,4H2,2H3,(H2,6,7,8).
What are the key properties of 1-methoxy-3-prop-2-enylurea?
1-methoxy-3-prop-2-enylurea has a molecular weight of 130.15 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-prop-2-enylurea is sourced from PubChem (CID 131153811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).