2-(oxiran-2-ylmethyl)prop-2-enylideneurea

C7H10N2O2 — CID 174335630

IUPAC2-(oxiran-2-ylmethyl)prop-2-enylideneurea
SMILESC=C(C=NC(N)=O)CC1CO1
InChIInChI=1S/C7H10N2O2/c1-5(2-6-4-11-6)3-9-7(8)10/h3,6H,1-2,4H2,(H2,8,10)
InChIKeySTDUPUXSEVDDGG-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.48
Rot. Bonds3

About 2-(oxiran-2-ylmethyl)prop-2-enylideneurea

2-(oxiran-2-ylmethyl)prop-2-enylideneurea (PubChem CID 174335630) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethyl)prop-2-enylideneurea.

Molecular Properties

Compound Name2-(oxiran-2-ylmethyl)prop-2-enylideneurea
PubChem CID174335630
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(oxiran-2-ylmethyl)prop-2-enylideneurea
SMILESC=C(C=NC(N)=O)CC1CO1
InChIInChI=1S/C7H10N2O2/c1-5(2-6-4-11-6)3-9-7(8)10/h3,6H,1-2,4H2,(H2,8,10)
InChIKeySTDUPUXSEVDDGG-UHFFFAOYSA-N
XLogP0.48
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(oxiran-2-ylmethyl)prop-2-enylideneurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylprop-2-enyl)oxirane;urea
CID 159105075
2-(oxiran-2-ylmethyl)prop-2-enoyl isocyanate
CID 174529273
2-(chloromethyl)oxirane;prop-2-enamide
CID 161187298
1-(oxiran-2-yl)propan-2-one
CID 15110788
ethane-1,2-diol;bis(2-(oxiran-2-ylmethyl)prop-2-enoic acid)
CID 174976815
diethyl (Z)-but-2-enedioate;methyl 2-(oxiran-2-ylmethyl)prop-2-enoate
CID 174899415
1-ethyl-1-(oxiran-2-ylmethyl)urea
CID 141285145
oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate
CID 22381567
2-methylbut-2-enoic acid;2-(oxiran-2-ylmethyl)prop-2-enoic acid
CID 173148630
butyl 2-(oxiran-2-ylmethyl)prop-2-enoate;prop-2-enoic acid
CID 175434098
2-oxopropylideneurea
CID 154176026
but-3-en-2-one;2-ethyloxirane;3-methylbut-3-en-2-one
CID 161033234

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethyl)prop-2-enylideneurea?
The IUPAC name of 2-(oxiran-2-ylmethyl)prop-2-enylideneurea (CID 174335630) is 2-(oxiran-2-ylmethyl)prop-2-enylideneurea.
What is the SMILES notation for 2-(oxiran-2-ylmethyl)prop-2-enylideneurea?
The canonical SMILES for 2-(oxiran-2-ylmethyl)prop-2-enylideneurea is C=C(C=NC(N)=O)CC1CO1.
What is the InChIKey of 2-(oxiran-2-ylmethyl)prop-2-enylideneurea?
The InChIKey is STDUPUXSEVDDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(2-6-4-11-6)3-9-7(8)10/h3,6H,1-2,4H2,(H2,8,10).
What are the key properties of 2-(oxiran-2-ylmethyl)prop-2-enylideneurea?
2-(oxiran-2-ylmethyl)prop-2-enylideneurea has a molecular weight of 154.17 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethyl)prop-2-enylideneurea is sourced from PubChem (CID 174335630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).