bis(prop-1-ene);urea

C7H16N2O — CID 19834344

IUPACbis(prop-1-ene);urea
SMILESC=CC.C=CC.NC(N)=O
InChIInChI=1S/2C3H6.CH4N2O/c2*1-3-2;2-1(3)4/h2*3H,1H2,2H3;(H4,2,3,4)
InChIKeyLFWZEVRLJCZHNF-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.41
Rot. Bonds

About bis(prop-1-ene);urea

bis(prop-1-ene);urea (PubChem CID 19834344) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is bis(prop-1-ene);urea.

Molecular Properties

Compound Namebis(prop-1-ene);urea
PubChem CID19834344
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Namebis(prop-1-ene);urea
SMILESC=CC.C=CC.NC(N)=O
InChIInChI=1S/2C3H6.CH4N2O/c2*1-3-2;2-1(3)4/h2*3H,1H2,2H3;(H4,2,3,4)
InChIKeyLFWZEVRLJCZHNF-UHFFFAOYSA-N
XLogP1.41
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
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 bis(prop-1-ene);urea?
The IUPAC name of bis(prop-1-ene);urea (CID 19834344) is bis(prop-1-ene);urea.
What is the SMILES notation for bis(prop-1-ene);urea?
The canonical SMILES for bis(prop-1-ene);urea is C=CC.C=CC.NC(N)=O.
What is the InChIKey of bis(prop-1-ene);urea?
The InChIKey is LFWZEVRLJCZHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6.CH4N2O/c2*1-3-2;2-1(3)4/h2*3H,1H2,2H3;(H4,2,3,4).
What are the key properties of bis(prop-1-ene);urea?
bis(prop-1-ene);urea has a molecular weight of 144.22 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-1-ene);urea is sourced from PubChem (CID 19834344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).