ethylideneurea;ethyl 2-methylprop-2-enoate

C9H16N2O3 — CID 175474375

IUPACethylideneurea;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.CC=NC(N)=O
InChIInChI=1S/C6H10O2.C3H6N2O/c1-4-8-6(7)5(2)3;1-2-5-3(4)6/h2,4H2,1,3H3;2H,1H3,(H2,4,6)
InChIKeyRXOVVJJIURROJV-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.28
Rot. Bonds2

About ethylideneurea;ethyl 2-methylprop-2-enoate

ethylideneurea;ethyl 2-methylprop-2-enoate (PubChem CID 175474375) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethylideneurea;ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethylideneurea;ethyl 2-methylprop-2-enoate
PubChem CID175474375
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethylideneurea;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.CC=NC(N)=O
InChIInChI=1S/C6H10O2.C3H6N2O/c1-4-8-6(7)5(2)3;1-2-5-3(4)6/h2,4H2,1,3H3;2H,1H3,(H2,4,6)
InChIKeyRXOVVJJIURROJV-UHFFFAOYSA-N
XLogP1.28
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methylprop-2-enoate
CID 130475774
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
ethyl (Z)-3-amino-2-(ethylideneamino)but-2-enoate
CID 143409146
ethyl 2-methylprop-2-enoate;N-methylformamide
CID 158565771
ethyl (E)-3-(ethylideneamino)-2-methylbut-2-enoate
CID 143807792
butanedioic acid;bis(ethyl 2-methylprop-2-enoate)
CID 22400036
cyanic acid;ethyl 2-methylprop-2-enoate
CID 172737974

Frequently Asked Questions

What is the IUPAC name of ethylideneurea;ethyl 2-methylprop-2-enoate?
The IUPAC name of ethylideneurea;ethyl 2-methylprop-2-enoate (CID 175474375) is ethylideneurea;ethyl 2-methylprop-2-enoate.
What is the SMILES notation for ethylideneurea;ethyl 2-methylprop-2-enoate?
The canonical SMILES for ethylideneurea;ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC.CC=NC(N)=O.
What is the InChIKey of ethylideneurea;ethyl 2-methylprop-2-enoate?
The InChIKey is RXOVVJJIURROJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C3H6N2O/c1-4-8-6(7)5(2)3;1-2-5-3(4)6/h2,4H2,1,3H3;2H,1H3,(H2,4,6).
What are the key properties of ethylideneurea;ethyl 2-methylprop-2-enoate?
ethylideneurea;ethyl 2-methylprop-2-enoate has a molecular weight of 200.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylideneurea;ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 175474375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).