1,1-bis(ethenyl)-3-ethynylurea

C7H8N2O — CID 3023995

IUPAC1,1-bis(ethenyl)-3-ethynylurea
SMILESC#CNC(=O)N(C=C)C=C
InChIInChI=1S/C7H8N2O/c1-4-8-7(10)9(5-2)6-3/h1,5-6H,2-3H2,(H,8,10)
InChIKeyMATXBZKMNIJCBX-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.88
Rot. Bonds2

About 1,1-bis(ethenyl)-3-ethynylurea

1,1-bis(ethenyl)-3-ethynylurea (PubChem CID 3023995) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 1,1-bis(ethenyl)-3-ethynylurea.

Molecular Properties

Compound Name1,1-bis(ethenyl)-3-ethynylurea
PubChem CID3023995
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name1,1-bis(ethenyl)-3-ethynylurea
SMILESC#CNC(=O)N(C=C)C=C
InChIInChI=1S/C7H8N2O/c1-4-8-7(10)9(5-2)6-3/h1,5-6H,2-3H2,(H,8,10)
InChIKeyMATXBZKMNIJCBX-UHFFFAOYSA-N
XLogP0.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(ethenyl)-3-ethynylurea?
The IUPAC name of 1,1-bis(ethenyl)-3-ethynylurea (CID 3023995) is 1,1-bis(ethenyl)-3-ethynylurea.
What is the SMILES notation for 1,1-bis(ethenyl)-3-ethynylurea?
The canonical SMILES for 1,1-bis(ethenyl)-3-ethynylurea is C#CNC(=O)N(C=C)C=C.
What is the InChIKey of 1,1-bis(ethenyl)-3-ethynylurea?
The InChIKey is MATXBZKMNIJCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-4-8-7(10)9(5-2)6-3/h1,5-6H,2-3H2,(H,8,10).
What are the key properties of 1,1-bis(ethenyl)-3-ethynylurea?
1,1-bis(ethenyl)-3-ethynylurea has a molecular weight of 136.15 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(ethenyl)-3-ethynylurea is sourced from PubChem (CID 3023995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).