(1Z)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine

C7H11N5 — CID 20845128

IUPAC(1Z)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine
SMILESCN1CCC/C1=N/C(N)=N/C#N
InChIInChI=1S/C7H11N5/c1-12-4-2-3-6(12)11-7(9)10-5-8/h2-4H2,1H3,(H2,9,10)/b11-6-
InChIKeyXSIJIXFBDGDDIE-WDZFZDKYSA-N
MW165.20 g/mol
LogP-0.09
Rot. Bonds

About (1Z)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine

(1Z)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine (PubChem CID 20845128) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is (1Z)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine.

Molecular Properties

Compound Name(1Z)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine
PubChem CID20845128
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name(1Z)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine
SMILESCN1CCC/C1=N/C(N)=N/C#N
InChIInChI=1S/C7H11N5/c1-12-4-2-3-6(12)11-7(9)10-5-8/h2-4H2,1H3,(H2,9,10)/b11-6-
InChIKeyXSIJIXFBDGDDIE-WDZFZDKYSA-N
XLogP-0.09
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.09
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'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine?
The IUPAC name of (1Z)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine (CID 20845128) is (1Z)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine.
What is the SMILES notation for (1Z)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine?
The canonical SMILES for (1Z)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine is CN1CCC/C1=N/C(N)=N/C#N.
What is the InChIKey of (1Z)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine?
The InChIKey is XSIJIXFBDGDDIE-WDZFZDKYSA-N. The full InChI is InChI=1S/C7H11N5/c1-12-4-2-3-6(12)11-7(9)10-5-8/h2-4H2,1H3,(H2,9,10)/b11-6-.
What are the key properties of (1Z)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine?
(1Z)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine has a molecular weight of 165.20 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine is sourced from PubChem (CID 20845128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).