1-ethenyl-1,3-bis(prop-2-enyl)urea

C9H14N2O — CID 174961911

IUPAC1-ethenyl-1,3-bis(prop-2-enyl)urea
SMILESC=CCNC(=O)N(C=C)CC=C
InChIInChI=1S/C9H14N2O/c1-4-7-10-9(12)11(6-3)8-5-2/h4-6H,1-3,7-8H2,(H,10,12)
InChIKeyOMHPQRFELDZPBI-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.51
Rot. Bonds5

About 1-ethenyl-1,3-bis(prop-2-enyl)urea

1-ethenyl-1,3-bis(prop-2-enyl)urea (PubChem CID 174961911) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-ethenyl-1,3-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name1-ethenyl-1,3-bis(prop-2-enyl)urea
PubChem CID174961911
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-ethenyl-1,3-bis(prop-2-enyl)urea
SMILESC=CCNC(=O)N(C=C)CC=C
InChIInChI=1S/C9H14N2O/c1-4-7-10-9(12)11(6-3)8-5-2/h4-6H,1-3,7-8H2,(H,10,12)
InChIKeyOMHPQRFELDZPBI-UHFFFAOYSA-N
XLogP1.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.51
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-ethenyl-1,3-bis(prop-2-enyl)urea?
The IUPAC name of 1-ethenyl-1,3-bis(prop-2-enyl)urea (CID 174961911) is 1-ethenyl-1,3-bis(prop-2-enyl)urea.
What is the SMILES notation for 1-ethenyl-1,3-bis(prop-2-enyl)urea?
The canonical SMILES for 1-ethenyl-1,3-bis(prop-2-enyl)urea is C=CCNC(=O)N(C=C)CC=C.
What is the InChIKey of 1-ethenyl-1,3-bis(prop-2-enyl)urea?
The InChIKey is OMHPQRFELDZPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-7-10-9(12)11(6-3)8-5-2/h4-6H,1-3,7-8H2,(H,10,12).
What are the key properties of 1-ethenyl-1,3-bis(prop-2-enyl)urea?
1-ethenyl-1,3-bis(prop-2-enyl)urea has a molecular weight of 166.22 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1,3-bis(prop-2-enyl)urea is sourced from PubChem (CID 174961911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).