2-cyano-1,1-bis(prop-2-enyl)guanidine

C8H12N4 — CID 134608694

IUPAC2-cyano-1,1-bis(prop-2-enyl)guanidine
SMILESC=CCN(CC=C)/C(N)=N/C#N
InChIInChI=1S/C8H12N4/c1-3-5-12(6-4-2)8(10)11-7-9/h3-4H,1-2,5-6H2,(H2,10,11)
InChIKeySQYGUDOJWKOYHI-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.46
Rot. Bonds4

About 2-cyano-1,1-bis(prop-2-enyl)guanidine

2-cyano-1,1-bis(prop-2-enyl)guanidine (PubChem CID 134608694) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-cyano-1,1-bis(prop-2-enyl)guanidine.

Molecular Properties

Compound Name2-cyano-1,1-bis(prop-2-enyl)guanidine
PubChem CID134608694
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-cyano-1,1-bis(prop-2-enyl)guanidine
SMILESC=CCN(CC=C)/C(N)=N/C#N
InChIInChI=1S/C8H12N4/c1-3-5-12(6-4-2)8(10)11-7-9/h3-4H,1-2,5-6H2,(H2,10,11)
InChIKeySQYGUDOJWKOYHI-UHFFFAOYSA-N
XLogP0.46
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-1,1-bis(prop-2-enyl)guanidine?
The IUPAC name of 2-cyano-1,1-bis(prop-2-enyl)guanidine (CID 134608694) is 2-cyano-1,1-bis(prop-2-enyl)guanidine.
What is the SMILES notation for 2-cyano-1,1-bis(prop-2-enyl)guanidine?
The canonical SMILES for 2-cyano-1,1-bis(prop-2-enyl)guanidine is C=CCN(CC=C)/C(N)=N/C#N.
What is the InChIKey of 2-cyano-1,1-bis(prop-2-enyl)guanidine?
The InChIKey is SQYGUDOJWKOYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-3-5-12(6-4-2)8(10)11-7-9/h3-4H,1-2,5-6H2,(H2,10,11).
What are the key properties of 2-cyano-1,1-bis(prop-2-enyl)guanidine?
2-cyano-1,1-bis(prop-2-enyl)guanidine has a molecular weight of 164.21 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1,1-bis(prop-2-enyl)guanidine is sourced from PubChem (CID 134608694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).