bis(prop-2-enyl)cyanamide

C7H10N2 — CID 10849

IUPACbis(prop-2-enyl)cyanamide
SMILESC=CCN(C#N)CC=C
InChIInChI=1S/C7H10N2/c1-3-5-9(7-8)6-4-2/h3-4H,1-2,5-6H2
InChIKeyZOSAYFDMPYAZTB-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.14
Rot. Bonds4

About bis(prop-2-enyl)cyanamide

bis(prop-2-enyl)cyanamide (PubChem CID 10849) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is bis(prop-2-enyl)cyanamide.

Molecular Properties

Compound Namebis(prop-2-enyl)cyanamide
PubChem CID10849
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Namebis(prop-2-enyl)cyanamide
SMILESC=CCN(C#N)CC=C
InChIInChI=1S/C7H10N2/c1-3-5-9(7-8)6-4-2/h3-4H,1-2,5-6H2
InChIKeyZOSAYFDMPYAZTB-UHFFFAOYSA-N
XLogP1.14
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl)cyanamide?
The IUPAC name of bis(prop-2-enyl)cyanamide (CID 10849) is bis(prop-2-enyl)cyanamide.
What is the SMILES notation for bis(prop-2-enyl)cyanamide?
The canonical SMILES for bis(prop-2-enyl)cyanamide is C=CCN(C#N)CC=C.
What is the InChIKey of bis(prop-2-enyl)cyanamide?
The InChIKey is ZOSAYFDMPYAZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-5-9(7-8)6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of bis(prop-2-enyl)cyanamide?
bis(prop-2-enyl)cyanamide has a molecular weight of 122.17 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl)cyanamide is sourced from PubChem (CID 10849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).