1,3-bis(ethenyl)-1-prop-2-enylurea

C8H12N2O — CID 88606754

IUPAC1,3-bis(ethenyl)-1-prop-2-enylurea
SMILESC=CCN(C=C)C(=O)NC=C
InChIInChI=1S/C8H12N2O/c1-4-7-10(6-3)8(11)9-5-2/h4-6H,1-3,7H2,(H,9,11)
InChIKeyVSAPNYWZOOECIH-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.47
Rot. Bonds4

About 1,3-bis(ethenyl)-1-prop-2-enylurea

1,3-bis(ethenyl)-1-prop-2-enylurea (PubChem CID 88606754) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1,3-bis(ethenyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name1,3-bis(ethenyl)-1-prop-2-enylurea
PubChem CID88606754
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1,3-bis(ethenyl)-1-prop-2-enylurea
SMILESC=CCN(C=C)C(=O)NC=C
InChIInChI=1S/C8H12N2O/c1-4-7-10(6-3)8(11)9-5-2/h4-6H,1-3,7H2,(H,9,11)
InChIKeyVSAPNYWZOOECIH-UHFFFAOYSA-N
XLogP1.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenyl)-1-prop-2-enylurea?
The IUPAC name of 1,3-bis(ethenyl)-1-prop-2-enylurea (CID 88606754) is 1,3-bis(ethenyl)-1-prop-2-enylurea.
What is the SMILES notation for 1,3-bis(ethenyl)-1-prop-2-enylurea?
The canonical SMILES for 1,3-bis(ethenyl)-1-prop-2-enylurea is C=CCN(C=C)C(=O)NC=C.
What is the InChIKey of 1,3-bis(ethenyl)-1-prop-2-enylurea?
The InChIKey is VSAPNYWZOOECIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-7-10(6-3)8(11)9-5-2/h4-6H,1-3,7H2,(H,9,11).
What are the key properties of 1,3-bis(ethenyl)-1-prop-2-enylurea?
1,3-bis(ethenyl)-1-prop-2-enylurea has a molecular weight of 152.20 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenyl)-1-prop-2-enylurea is sourced from PubChem (CID 88606754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).